N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide

C226H220F6N34O30 — CID 167597969

IUPACN-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1
InChIInChI=1S/2C29H28N4O4.2C29H30N4O3.2C28H26N4O5.2C27H26F3N5O3/c2*1-19-4-3-5-23(31-19)14-21-11-13-30-25(15-21)27(34)32-24-9-8-22-7-6-20(10-12-29(36)17-37-18-29)16-26(22)33(2)28(24)35;2*1-19-6-5-7-23(31-19)16-21-13-15-30-25(17-21)27(34)32-24-11-10-22-9-8-20(12-14-29(2,3)36)18-26(22)33(4)28(24)35;2*1-32-24-15-18(9-11-28(36)16-37-17-28)5-6-20(24)7-8-22(27(32)35)31-26(34)23-14-19(10-12-29-23)13-21-3-2-4-25(33)30-21;2*1-26(2,38)12-11-17-7-8-19-9-10-21(24(36)34(3)22(19)14-17)33-25(37)35-16-18(15-31-35)13-20-5-4-6-23(32-20)27(28,29)30/h2*3-7,11,13,15-16,24,36H,8-9,14,17-18H2,1-2H3,(H,32,34);2*5-9,13,15,17-18,24,36H,10-11,16H2,1-4H3,(H,32,34);2*2-6,10,12,14-15,22,36H,7-8,13,16-17H2,1H3,(H,30,33)(H,31,34);2*4-8,14-16,21,38H,9-10,13H2,1-3H3,(H,33,37)/t24-;;24-;;22-;;21-;/m1.1.1.1./s1
InChIKeyJILWFUPUTAZTQE-HXNYDNKPSA-N
MW4006.44 g/mol
LogP20.26
Rot. Bonds30

About N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide

N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 167597969) has the molecular formula C226H220F6N34O30 and a molecular weight of 4006.44 g/mol. Its IUPAC name is N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID167597969
Molecular FormulaC226H220F6N34O30
Molecular Weight4006.44 g/mol
Exact Mass4003.66
IUPAC NameN-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1
InChIInChI=1S/2C29H28N4O4.2C29H30N4O3.2C28H26N4O5.2C27H26F3N5O3/c2*1-19-4-3-5-23(31-19)14-21-11-13-30-25(15-21)27(34)32-24-9-8-22-7-6-20(10-12-29(36)17-37-18-29)16-26(22)33(2)28(24)35;2*1-19-6-5-7-23(31-19)16-21-13-15-30-25(17-21)27(34)32-24-11-10-22-9-8-20(12-14-29(2,3)36)18-26(22)33(4)28(24)35;2*1-32-24-15-18(9-11-28(36)16-37-17-28)5-6-20(24)7-8-22(27(32)35)31-26(34)23-14-19(10-12-29-23)13-21-3-2-4-25(33)30-21;2*1-26(2,38)12-11-17-7-8-19-9-10-21(24(36)34(3)22(19)14-17)33-25(37)35-16-18(15-31-35)13-20-5-4-6-23(32-20)27(28,29)30/h2*3-7,11,13,15-16,24,36H,8-9,14,17-18H2,1-2H3,(H,32,34);2*5-9,13,15,17-18,24,36H,10-11,16H2,1-4H3,(H,32,34);2*2-6,10,12,14-15,22,36H,7-8,13,16-17H2,1H3,(H,30,33)(H,31,34);2*4-8,14-16,21,38H,9-10,13H2,1-3H3,(H,33,37)/t24-;;24-;;22-;;21-;/m1.1.1.1./s1
InChIKeyJILWFUPUTAZTQE-HXNYDNKPSA-N
XLogP20.26
TPSA850.08 Ų
H-Bond Donors18
H-Bond Acceptors46
Rotatable Bonds30
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004006.44
LogP ≤ 520.26
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1046

Analyze N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide (CID 167597969) is N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide is CN1C(=O)C(NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)C(NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.CN1C(=O)[C@H](NC(=O)c2cc(Cc3cccc(=O)[nH]3)ccn2)CCc2ccc(C#CC3(O)COC3)cc21.CN1C(=O)[C@H](NC(=O)n2cc(Cc3cccc(C(F)(F)F)n3)cn2)CCc2ccc(C#CC(C)(C)O)cc21.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)NC3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC(C)(C)O)cc4N(C)C3=O)c2)n1.Cc1cccc(Cc2ccnc(C(=O)N[C@@H]3CCc4ccc(C#CC5(O)COC5)cc4N(C)C3=O)c2)n1.
What is the InChIKey of N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is JILWFUPUTAZTQE-HXNYDNKPSA-N. The full InChI is InChI=1S/2C29H28N4O4.2C29H30N4O3.2C28H26N4O5.2C27H26F3N5O3/c2*1-19-4-3-5-23(31-19)14-21-11-13-30-25(15-21)27(34)32-24-9-8-22-7-6-20(10-12-29(36)17-37-18-29)16-26(22)33(2)28(24)35;2*1-19-6-5-7-23(31-19)16-21-13-15-30-25(17-21)27(34)32-24-11-10-22-9-8-20(12-14-29(2,3)36)18-26(22)33(4)28(24)35;2*1-32-24-15-18(9-11-28(36)16-37-17-28)5-6-20(24)7-8-22(27(32)35)31-26(34)23-14-19(10-12-29-23)13-21-3-2-4-25(33)30-21;2*1-26(2,38)12-11-17-7-8-19-9-10-21(24(36)34(3)22(19)14-17)33-25(37)35-16-18(15-31-35)13-20-5-4-6-23(32-20)27(28,29)30/h2*3-7,11,13,15-16,24,36H,8-9,14,17-18H2,1-2H3,(H,32,34);2*5-9,13,15,17-18,24,36H,10-11,16H2,1-4H3,(H,32,34);2*2-6,10,12,14-15,22,36H,7-8,13,16-17H2,1H3,(H,30,33)(H,31,34);2*4-8,14-16,21,38H,9-10,13H2,1-3H3,(H,33,37)/t24-;;24-;;22-;;21-;/m1.1.1.1./s1.
What are the key properties of N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide?
N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 4006.44 g/mol, XLogP of 20.26, 30 rotatable bonds, 18 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[8-(3-hydroxy-3-methylbut-1-ynyl)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;N-[(3R)-8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide;N-[8-[2-(3-hydroxyoxetan-3-yl)ethynyl]-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-4-[(6-oxo-1H-pyridin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167597969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).