(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen

C155H182N24O32S7 — CID 160600443

IUPAC(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)c4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ncccn5)CC4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cc(C)ns4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(OC)cc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cccc(C(N)=O)c4)cnc3OC(C)(C)[C@H]2O)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O5S.C27H32N4O5S.C26H28N4O6S.C26H29N3O6S.C26H29N3O5S.C23H26N4O5S2.3H2/c1-4-18-6-8-20(9-7-18)39(36,37)31-22-21-16-19(17-30-24(21)38-27(2,3)23(22)34)25(35)32-12-14-33(15-13-32)26-28-10-5-11-29-26;1-5-18-7-9-21(10-8-18)37(34,35)30-23-22-15-20(16-29-25(22)36-27(3,4)24(23)32)26(33)31(6-2)17-19-11-13-28-14-12-19;1-4-15-8-10-19(11-9-15)37(34,35)30-21-20-13-17(14-28-25(20)36-26(2,3)22(21)31)24(33)29-18-7-5-6-16(12-18)23(27)32;1-5-16-6-12-20(13-7-16)36(32,33)29-22-21-14-17(15-27-25(21)35-26(2,3)23(22)30)24(31)28-18-8-10-19(34-4)11-9-18;1-5-17-11-13-20(14-12-17)35(32,33)28-22-21-15-18(16-27-24(21)34-26(2,3)23(22)30)25(31)29(4)19-9-7-6-8-10-19;1-5-14-6-8-16(9-7-14)34(30,31)27-19-17-11-15(21(29)25-18-10-13(2)26-33-18)12-24-22(17)32-23(3,4)20(19)28;;;/h5-11,16-17,22-23,31,34H,4,12-15H2,1-3H3;7-16,23-24,30,32H,5-6,17H2,1-4H3;5-14,21-22,30-31H,4H2,1-3H3,(H2,27,32)(H,29,33);6-15,22-23,29-30H,5H2,1-4H3,(H,28,31);6-16,22-23,28,30H,5H2,1-4H3;6-12,19-20,27-28H,5H2,1-4H3,(H,25,29);3*1H/t22-,23+;23-,24+;21-,22+;2*22-,23+;19-,20+;;;/m111111.../s1
InChIKeyREEUJRXZPHLIMB-JLSWTLMFSA-N
MW3117.77 g/mol
LogP18.63
Rot. Bonds40

About (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen

(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen (PubChem CID 160600443) has the molecular formula C155H182N24O32S7 and a molecular weight of 3117.77 g/mol. Its IUPAC name is (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen
PubChem CID160600443
Molecular FormulaC155H182N24O32S7
Molecular Weight3117.77 g/mol
Exact Mass3115.14
IUPAC Name(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)c4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ncccn5)CC4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cc(C)ns4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(OC)cc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cccc(C(N)=O)c4)cnc3OC(C)(C)[C@H]2O)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C27H32N6O5S.C27H32N4O5S.C26H28N4O6S.C26H29N3O6S.C26H29N3O5S.C23H26N4O5S2.3H2/c1-4-18-6-8-20(9-7-18)39(36,37)31-22-21-16-19(17-30-24(21)38-27(2,3)23(22)34)25(35)32-12-14-33(15-13-32)26-28-10-5-11-29-26;1-5-18-7-9-21(10-8-18)37(34,35)30-23-22-15-20(16-29-25(22)36-27(3,4)24(23)32)26(33)31(6-2)17-19-11-13-28-14-12-19;1-4-15-8-10-19(11-9-15)37(34,35)30-21-20-13-17(14-28-25(20)36-26(2,3)22(21)31)24(33)29-18-7-5-6-16(12-18)23(27)32;1-5-16-6-12-20(13-7-16)36(32,33)29-22-21-14-17(15-27-25(21)35-26(2,3)23(22)30)24(31)28-18-8-10-19(34-4)11-9-18;1-5-17-11-13-20(14-12-17)35(32,33)28-22-21-15-18(16-27-24(21)34-26(2,3)23(22)30)25(31)29(4)19-9-7-6-8-10-19;1-5-14-6-8-16(9-7-14)34(30,31)27-19-17-11-15(21(29)25-18-10-13(2)26-33-18)12-24-22(17)32-23(3,4)20(19)28;;;/h5-11,16-17,22-23,31,34H,4,12-15H2,1-3H3;7-16,23-24,30,32H,5-6,17H2,1-4H3;5-14,21-22,30-31H,4H2,1-3H3,(H2,27,32)(H,29,33);6-15,22-23,29-30H,5H2,1-4H3,(H,28,31);6-16,22-23,28,30H,5H2,1-4H3;6-12,19-20,27-28H,5H2,1-4H3,(H,25,29);3*1H/t22-,23+;23-,24+;21-,22+;2*22-,23+;19-,20+;;;/m111111.../s1
InChIKeyREEUJRXZPHLIMB-JLSWTLMFSA-N
XLogP18.63
TPSA786.47 Ų
H-Bond Donors16
H-Bond Acceptors44
Rotatable Bonds40
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003117.77
LogP ≤ 518.63
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1044

Analyze (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen
CID 161254931
(3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;N-[(3S,4R)-6-[(2S)-2-(2,6-dimethylanilino)pyrrolidine-1-carbonyl]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-ethylbenzenesulfonamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
CID 161456265
(3S,4R)-N-[2-(benzylamino)ethyl]-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-(4-bromophenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide
CID 159732963
N-[(3S,4R)-6-(2,3-dihydro-1H-indolizin-4-ium-3-carbonyl)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-4-yl]-4-ethylbenzenesulfonamide
CID 54191547
3-[(4-methoxybenzoyl)amino]-N-methyl-N-phenylbenzamide
CID 17227750
5-chloro-N-[(3S,4R)-3-hydroxy-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-methyl-1-benzothiophene-2-sulfonamide;(3S,4R)-4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxamide;(3S,4R)-4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(5-phenyl-1H-pyrazol-3-yl)-3,4-dihydrochromene-6-carboxamide;(3S,4R)-4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3,4-dihydrochromene-6-carboxamide;(3S,4R)-4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydrochromene-6-carboxamide;molecular hydrogen
CID 160895695
4-N-(4-methoxyphenyl)-2-N-methyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091500
N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 70964039
N-[4-[[5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-pyridinyl]sulfamoyl]phenyl]acetamide
CID 46345778
5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
N-(4-methoxyphenyl)-5-(N-methylanilino)pyridine-3-carboxamide
CID 109242318
methyl 3-[[2-[methyl(phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoate
CID 109091517

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen?
The IUPAC name of (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen (CID 160600443) is (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen.
What is the SMILES notation for (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen?
The canonical SMILES for (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen is CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(C)c4ccccc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N(CC)Cc4ccncc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCN(c5ncccn5)CC4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cc(C)ns4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4ccc(OC)cc4)cnc3OC(C)(C)[C@H]2O)cc1.CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)Nc4cccc(C(N)=O)c4)cnc3OC(C)(C)[C@H]2O)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen?
The InChIKey is REEUJRXZPHLIMB-JLSWTLMFSA-N. The full InChI is InChI=1S/C27H32N6O5S.C27H32N4O5S.C26H28N4O6S.C26H29N3O6S.C26H29N3O5S.C23H26N4O5S2.3H2/c1-4-18-6-8-20(9-7-18)39(36,37)31-22-21-16-19(17-30-24(21)38-27(2,3)23(22)34)25(35)32-12-14-33(15-13-32)26-28-10-5-11-29-26;1-5-18-7-9-21(10-8-18)37(34,35)30-23-22-15-20(16-29-25(22)36-27(3,4)24(23)32)26(33)31(6-2)17-19-11-13-28-14-12-19;1-4-15-8-10-19(11-9-15)37(34,35)30-21-20-13-17(14-28-25(20)36-26(2,3)22(21)31)24(33)29-18-7-5-6-16(12-18)23(27)32;1-5-16-6-12-20(13-7-16)36(32,33)29-22-21-14-17(15-27-25(21)35-26(2,3)23(22)30)24(31)28-18-8-10-19(34-4)11-9-18;1-5-17-11-13-20(14-12-17)35(32,33)28-22-21-15-18(16-27-24(21)34-26(2,3)23(22)30)25(31)29(4)19-9-7-6-8-10-19;1-5-14-6-8-16(9-7-14)34(30,31)27-19-17-11-15(21(29)25-18-10-13(2)26-33-18)12-24-22(17)32-23(3,4)20(19)28;;;/h5-11,16-17,22-23,31,34H,4,12-15H2,1-3H3;7-16,23-24,30,32H,5-6,17H2,1-4H3;5-14,21-22,30-31H,4H2,1-3H3,(H2,27,32)(H,29,33);6-15,22-23,29-30H,5H2,1-4H3,(H,28,31);6-16,22-23,28,30H,5H2,1-4H3;6-12,19-20,27-28H,5H2,1-4H3,(H,25,29);3*1H/t22-,23+;23-,24+;21-,22+;2*22-,23+;19-,20+;;;/m111111.../s1.
What are the key properties of (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen?
(3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen has a molecular weight of 3117.77 g/mol, XLogP of 18.63, 40 rotatable bonds, 16 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-(3-carbamoylphenyl)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-N-ethyl-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(pyridin-4-ylmethyl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;4-ethyl-N-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydropyrano[2,3-b]pyridin-4-yl]benzenesulfonamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(3-methyl-1,2-thiazol-5-yl)-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N-(4-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;(3S,4R)-4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-N,2,2-trimethyl-N-phenyl-3,4-dihydropyrano[2,3-b]pyridine-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 160600443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).