4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

C125H126Cl4F12N20O19S2 — CID 158074634

IUPAC4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1cc2nc(NC(=O)N3CC=C(c4ncc([C@H](O)CO)cc4Cl)CC3)sc2cc1C.Cc1ccc(NC(=O)N2CC=C(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1C.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1.O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1
InChIInChI=1S/C22H23ClN4O3S.C21H21ClF3N3O4.C21H21ClF3N3O3.C21H24ClN3O3.C20H19F4N3O3.C20H18F2N4O3S/c1-12-7-17-19(8-13(12)2)31-21(25-17)26-22(30)27-5-3-14(4-6-27)20-16(23)9-15(10-24-20)18(29)11-28;1-12-8-15(2-3-18(12)32-21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-16(22)9-14(10-26-19)17(30)11-29;1-12-8-15(2-3-16(12)21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-17(22)9-14(10-26-19)18(30)11-29;1-13-3-4-17(9-14(13)2)24-21(28)25-7-5-15(6-8-25)20-18(22)10-16(11-23-20)19(27)12-26;21-16-9-13(17(29)11-28)10-25-18(16)12-5-7-27(8-6-12)19(30)26-15-3-1-14(2-4-15)20(22,23)24;21-13-1-2-15-17(8-13)30-19(24-15)25-20(29)26-5-3-11(4-6-26)18-14(22)7-12(9-23-18)16(28)10-27/h3,7-10,18,28-29H,4-6,11H2,1-2H3,(H,25,26,30);2-4,8-10,17,29-30H,5-7,11H2,1H3,(H,27,31);2-4,8-10,18,29-30H,5-7,11H2,1H3,(H,27,31);3-5,9-11,19,26-27H,6-8,12H2,1-2H3,(H,24,28);1-5,9-10,17,28-29H,6-8,11H2,(H,26,30);1-3,7-9,16,27-28H,4-6,10H2,(H,24,25,29)/t18-;17-;18-;19-;17-;16-/m100111/s1
InChIKeyFMFJXWGFZHRCTA-NCJMDCGHSA-N
MW2646.43 g/mol
LogP23.61
Rot. Bonds25

About 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 158074634) has the molecular formula C125H126Cl4F12N20O19S2 and a molecular weight of 2646.43 g/mol. Its IUPAC name is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID158074634
Molecular FormulaC125H126Cl4F12N20O19S2
Molecular Weight2646.43 g/mol
Exact Mass2642.75
IUPAC Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1cc2nc(NC(=O)N3CC=C(c4ncc([C@H](O)CO)cc4Cl)CC3)sc2cc1C.Cc1ccc(NC(=O)N2CC=C(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1C.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1.O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1
InChIInChI=1S/C22H23ClN4O3S.C21H21ClF3N3O4.C21H21ClF3N3O3.C21H24ClN3O3.C20H19F4N3O3.C20H18F2N4O3S/c1-12-7-17-19(8-13(12)2)31-21(25-17)26-22(30)27-5-3-14(4-6-27)20-16(23)9-15(10-24-20)18(29)11-28;1-12-8-15(2-3-18(12)32-21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-16(22)9-14(10-26-19)17(30)11-29;1-12-8-15(2-3-16(12)21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-17(22)9-14(10-26-19)18(30)11-29;1-13-3-4-17(9-14(13)2)24-21(28)25-7-5-15(6-8-25)20-18(22)10-16(11-23-20)19(27)12-26;21-16-9-13(17(29)11-28)10-25-18(16)12-5-7-27(8-6-12)19(30)26-15-3-1-14(2-4-15)20(22,23)24;21-13-1-2-15-17(8-13)30-19(24-15)25-20(29)26-5-3-11(4-6-26)18-14(22)7-12(9-23-18)16(28)10-27/h3,7-10,18,28-29H,4-6,11H2,1-2H3,(H,25,26,30);2-4,8-10,17,29-30H,5-7,11H2,1H3,(H,27,31);2-4,8-10,18,29-30H,5-7,11H2,1H3,(H,27,31);3-5,9-11,19,26-27H,6-8,12H2,1-2H3,(H,24,28);1-5,9-10,17,28-29H,6-8,11H2,(H,26,30);1-3,7-9,16,27-28H,4-6,10H2,(H,24,25,29)/t18-;17-;18-;19-;17-;16-/m100111/s1
InChIKeyFMFJXWGFZHRCTA-NCJMDCGHSA-N
XLogP23.61
TPSA549.15 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002646.43
LogP ≤ 523.61
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Analyze 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 158074634) is 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1C(F)(F)F.Cc1cc(NC(=O)N2CC=C(c3ncc([C@@H](O)CO)cc3Cl)CC2)ccc1OC(F)(F)F.Cc1cc2nc(NC(=O)N3CC=C(c4ncc([C@H](O)CO)cc4Cl)CC3)sc2cc1C.Cc1ccc(NC(=O)N2CC=C(c3ncc([C@H](O)CO)cc3Cl)CC2)cc1C.O=C(Nc1ccc(C(F)(F)F)cc1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1.O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1.
What is the InChIKey of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is FMFJXWGFZHRCTA-NCJMDCGHSA-N. The full InChI is InChI=1S/C22H23ClN4O3S.C21H21ClF3N3O4.C21H21ClF3N3O3.C21H24ClN3O3.C20H19F4N3O3.C20H18F2N4O3S/c1-12-7-17-19(8-13(12)2)31-21(25-17)26-22(30)27-5-3-14(4-6-27)20-16(23)9-15(10-24-20)18(29)11-28;1-12-8-15(2-3-18(12)32-21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-16(22)9-14(10-26-19)17(30)11-29;1-12-8-15(2-3-16(12)21(23,24)25)27-20(31)28-6-4-13(5-7-28)19-17(22)9-14(10-26-19)18(30)11-29;1-13-3-4-17(9-14(13)2)24-21(28)25-7-5-15(6-8-25)20-18(22)10-16(11-23-20)19(27)12-26;21-16-9-13(17(29)11-28)10-25-18(16)12-5-7-27(8-6-12)19(30)26-15-3-1-14(2-4-15)20(22,23)24;21-13-1-2-15-17(8-13)30-19(24-15)25-20(29)26-5-3-11(4-6-26)18-14(22)7-12(9-23-18)16(28)10-27/h3,7-10,18,28-29H,4-6,11H2,1-2H3,(H,25,26,30);2-4,8-10,17,29-30H,5-7,11H2,1H3,(H,27,31);2-4,8-10,18,29-30H,5-7,11H2,1H3,(H,27,31);3-5,9-11,19,26-27H,6-8,12H2,1-2H3,(H,24,28);1-5,9-10,17,28-29H,6-8,11H2,(H,26,30);1-3,7-9,16,27-28H,4-6,10H2,(H,24,25,29)/t18-;17-;18-;19-;17-;16-/m100111/s1.
What are the key properties of 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 2646.43 g/mol, XLogP of 23.61, 25 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[(1R)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide;4-[5-[(1S)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 158074634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).