Pyridines and derivatives
Phenazopyridine, TRC
CAS: 94-78-0 Molecular Formula: C11H11N5 Molecular Weight (g/mol): 213.24 Synonym: 3-(2-Phenyldiazenyl)-2,6-pyridinediamine Hydrochloride,3-(Phenylazo)-2,6-pyridinediamine,2,6-Diamino-3-phenylazopyridine,Gastracid,Gastrotest,NSC 145895 IUPAC Name: 3-[(E)-phenyldiazenyl]pyridine-2,6-diamine SMILES: Nc1ccc(N=Nc2ccccc2)c(N)n1
Rimsulfuron, TRC
CAS: 122931-48-0 Molecular Formula: C14 H17 N5 O7 S2 Molecular Weight (g/mol): 431.44 Synonym: DPX-E9636,N-[(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]-3-(ethylsulfonyl)-2-pyridinesulfonamide IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea SMILES: CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc2nc(OC)cc(OC)n2
Chlorpheniramine, TRC
CAS: 132-22-9 Molecular Formula: C16 H19 Cl N2 Molecular Weight (g/mol): 274.79 Synonym: 2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-dimethyl-,Pyridine, 2-[p-chloro-α-[2-(dimethylamino)ethyl]benzyl]- (8CI),γ-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine,(±)-Chloropheniramine,(±)-Chlorpheniramine,1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane,2-[p-Chloro-α-[2-(dimethylamino)ethyl]benzyl]pyridine,3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine,4-Chloropheniramine,Allergican,Chloropheniramine,Chlorophenylpyridamine,Chloroprophenpyridamine,Chlorphenamine,Chlorpheniramine,Chlorprophenpyridamine,Haynon,RS-Chlorpheniramine,dl-1-(p-Chlorophenyl)-1-(2-pyridyl)-3-(dimethylamino)propane,γ-(4-Chlorophenyl)-γ-(2-pyridyl)propyldimethylamine IUPAC Name: 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine SMILES: CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2
Etoricoxib, TRC
CAS: 202409-33-4 Molecular Formula: C18 H15 Cl N2 O2 S Molecular Weight (g/mol): 358.84 Synonym: Etoricoxib,2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-,5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine,Algix,Arcoxia,Etobrix,Etocox,Etoricoxib,Etosaid,Etoxib,Etropain,Kingcox,MK 0663,MK 663,Nucoxia,Tauxib,Torcoxia IUPAC Name: 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine SMILES: Cc1ccc(cn1)c2ncc(Cl)cc2c3ccc(cc3)S(=O)(=O)C
Nicotelline, TRC
CAS: 494-04-2 Molecular Formula: C15 H11 N3 Molecular Weight (g/mol): 233.27 IUPAC Name: 2,4-dipyridin-3-ylpyridine SMILES: c1cncc(c1)c2ccnc(c2)c3cccnc3
Nimodipine, TRC
CAS: 66085-59-4 Molecular Formula: C21 H26 N2 O7 Molecular Weight (g/mol): 418.44 Synonym: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-(2-methoxyethyl) 5-(1-methylethyl) ester,3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-methoxyethyl 1-methylethyl ester (9CI),(±)-Nimodipine,Admon,BAY-e 9736,Nimodipine,Nimodipine AP,Nimotop,Periplum IUPAC Name: 3-O-(2-methoxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate SMILES: COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)C)C
AZD2014, TRC
CAS: 1009298-59-2 Molecular Formula: C25H30N6O3 Molecular Weight (g/mol): 462.54 Synonym: AZD2014,Vistusertib IUPAC Name: 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide SMILES: CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C
Clevidipine, TRC
CAS: 167221-71-8 Molecular Formula: C21H23Cl2NO6 Molecular Weight (g/mol): 456.32 Synonym: 4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic Acid 3-Methyl 5-[(1-Oxobutoxy)methyl] Ester,Clevelox,Cleviprex,H 324/38,rac-Clevidipine; IUPAC Name: 5-O-(butanoyloxymethyl) 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C
Fluridone, TRC
CAS: 59756-60-4 Molecular Formula: C19 H14 F3 N O Molecular Weight (g/mol): 329.32 Synonym: Fluridone,4(1H)-Pyridinone, 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]- (9CI, ACI),1-Methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]-4(1H)-pyridinone (ACI),EL 171,Fluridone,Sonar IUPAC Name: 1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one SMILES: CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3
Chlonixin, TRC
CAS: 17737-65-4 Molecular Formula: C13 H11 Cl N2 O2 Molecular Weight (g/mol): 262.69 Synonym: 2-[(3-Chloro-2-methylphenyl)amino]-3-pyridinecarboxylic Acid; IUPAC Name: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid SMILES: Cc1c(Cl)cccc1Nc2ncccc2C(=O)O
Amlodipine, TRC
CAS: 88150-42-9 Molecular Formula: C20 H25 Cl N2 O5 Molecular Weight (g/mol): 408.88 Synonym: 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-3,5-Pyridinedicarboxylic acid 3-ethyl 5-methyl ester,(R,S)-Amlodipine,2-[(2-Aminoethoxy)methyl]-4-(2-chlorophenyl)-3-(ethoxycarbonyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine,Amlodipine,Pelmec,Racemic Amlodipine IUPAC Name: 3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate SMILES: CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C
Isonicotinamide, TRC
CAS: 1453-82-3 Molecular Formula: C6 H6 N2 O Molecular Weight (g/mol): 122.12 Synonym: Isonicotinamide,4-Pyridinecarboxamide,Isonicotinamide (6CI,7CI,8CI),4-(Aminocarbonyl)pyridine,4-Amidopyridine,4-Carbamoylpyridine,4-Pyridinecarboxylic acid amide,Isoniacinamide,Isonicotinic acid amide,NSC 82353,Pyridine-4-carbamide,γ-Pyridinecarboxamide IUPAC Name: pyridine-4-carboxamide SMILES: NC(=O)c1ccncc1
Clopyralid, TRC
CAS: 1702-17-6 Molecular Formula: C6 H3 Cl2 N O2 Molecular Weight (g/mol): 192 Synonym: Picolinic acid, 3,6-dichloro- (7CI,8CI),3,6-Dichloro-2-pyridinecarboxylic acid,3,6-Dichloro-2-picolinic acid,3,6-Dichloropicolinic acid,Cirtoxin,Clopyralid,Dichloro pyridine acid,Diclopyr,Dowco 290,Faworyt,Faworyt 300SL,IWD 3523,Lontrel,Lontrel 100,Lontrel 3,Lontrel 300,Lontrel L,Lornet,Matrigon,Stinger,Transline,Versatill,XRM 3972 IUPAC Name: 3,6-dichloropyridine-2-carboxylic acid SMILES: OC(=O)c1nc(Cl)ccc1Cl
Enpiroline, TRC
CAS: 66364-73-6 Molecular Formula: C19 H18 F6 N2 O Molecular Weight (g/mol): 404.35 Synonym: αr)-Rel-α-(2R)-2-Piperidinyl-2-(Trifluoromethyl)-6-[4-(Trifluoromethyl)Phenyl]-4-Pyridinemethanol,(R*,R*)-(±)-α-2-Piperidinyl-2-(Trifluoromethyl)-6-[4-(Trifluoromethyl)Phenyl]-4-Pyridinemethanol SMILES: O[C@@H]([C@H]1Ccccn1)C2Cc(Nc(C2)C(F)(F)F)C3Ccc(Cc3)C(F)(F)F
Dalfampridine, TRC
CAS: 504-24-5 Molecular Formula: C5 H6 N2 Molecular Weight (g/mol): 94.11 Synonym: Pyridine, 4-amino- (8CI),4-Aminopyridine,4-Pyridinylamine,4-Pyridylamine,4AP,Ampyra,Avitrol,Dalfampridine,EL 970,Fampridine,NSC 15041,Neurelan,Phillips 1861,Pymadin,VMI 10-3,p-Aminopyridine,γ-Aminopyridine IUPAC Name: pyridin-4-amine SMILES: Nc1ccncc1