N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide

C118H153Cl4FN18O12 — CID 159023045

IUPACN-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCC(C)CC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.Cc1cc(C(=O)CCC(C)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N(C)C(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C30H40ClN5O3.C30H39ClN4O3.C29H36ClFN4O3.C29H38ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22;1-5-19(2)14-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-9-29(37)35(26)24-10-12-34(13-11-24)18-22-6-7-25(31)20(3)15-22;1-18-14-21(5-6-24(18)30)17-34-12-10-23(11-13-34)35-25(7-9-28(35)37)29(38)33-27-16-22(15-20(3)32-27)26(36)8-4-19(2)31;1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);5-6,14-16,19,23,25H,4,7-13,17H2,1-3H3,(H,32,33,38);6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t21?,26-;19?,26-;19?,25-;25-/m1111/s1
InChIKeyJTYAFEXNGFOWLT-QLICGABJSA-N
MW2176.45 g/mol
LogP20.07
Rot. Bonds33

About N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide

N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 159023045) has the molecular formula C118H153Cl4FN18O12 and a molecular weight of 2176.45 g/mol. Its IUPAC name is N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide
PubChem CID159023045
Molecular FormulaC118H153Cl4FN18O12
Molecular Weight2176.45 g/mol
Exact Mass2173.07
IUPAC NameN-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCCC(C)CC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.Cc1cc(C(=O)CCC(C)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N(C)C(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1
InChIInChI=1S/C30H40ClN5O3.C30H39ClN4O3.C29H36ClFN4O3.C29H38ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22;1-5-19(2)14-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-9-29(37)35(26)24-10-12-34(13-11-24)18-22-6-7-25(31)20(3)15-22;1-18-14-21(5-6-24(18)30)17-34-12-10-23(11-13-34)35-25(7-9-28(35)37)29(38)33-27-16-22(15-20(3)32-27)26(36)8-4-19(2)31;1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);5-6,14-16,19,23,25H,4,7-13,17H2,1-3H3,(H,32,33,38);6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t21?,26-;19?,26-;19?,25-;25-/m1111/s1
InChIKeyJTYAFEXNGFOWLT-QLICGABJSA-N
XLogP20.07
TPSA336.92 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds33
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.45
LogP ≤ 520.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[[(2R)-1-[1-[(4-chloro-3-ethylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-cyclopropyl-N,N-dimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
CID 159024667
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide
CID 159023046
3-(2-amino-2-oxoethyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-N-(4-methylcyclohexyl)-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-[2-(dimethylamino)-2-oxoethyl]-N-(4-methylcyclohexyl)-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-ethyl-N-(4-methylcyclohexyl)-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-N-(4-methylcyclohexyl)-5-(4-methylpiperidin-1-yl)imidazo[4,5-b]pyridine-6-carboxamide;2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-3-methyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylimidazo[4,5-b]pyridine-6-carboxamide
CID 157529153
(2R)-N-[4-(azetidine-1-carbonyl)-6-methyl-2-pyridinyl]-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(3-cyclopropylpropanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(4-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-methyl-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 158621031
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(pyrrolidine-1-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(morpholine-4-carbonyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 158688322
(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(4-ethyl-2-pyridinyl)-5-methylidenepyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-(6-methyl-4-propanoyl-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxo-N-(6-propanoyl-2-pyridinyl)pyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide
CID 159206714
2-[[(2R)-1-[1-[(4-chloro-3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N-ethyl-N,6-dimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-6-ethynyl-N,N-dimethylpyridine-4-carboxamide
CID 160015678
2-butyl-6-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N-dimethyl-6-propan-2-ylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide;2-[[(2R)-1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
CID 161014232
CID 161713035
CID 161713035
N-[(5R,7S,20S,33S)-2,8,15,21,28,34-hexaoxo-3,9,16,22,29,35,40,41,42-nonazaheptacyclo[34.3.1.110,14.123,27.03,7.016,20.029,33]dotetraconta-1(40),10,12,14(42),23,25,27(41),36,38-nonaen-5-yl]-2-[3-[2-[[(5R,7S,20S,33S)-2,8,15,21,28,34-hexaoxo-3,9,16,22,29,35,40,41,42-nonazaheptacyclo[34.3.1.110,14.123,27.03,7.016,20.029,33]dotetraconta-1(40),10,12,14(42),23,25,27(41),36,38-nonaen-5-yl]amino]-2-oxoethyl]phenyl]acetamide
CID 177523553
N-[(5S,7S,20S,33S)-2,8,15,21,28,34-hexaoxo-3,9,16,22,29,35,40,41,42-nonazaheptacyclo[34.3.1.110,14.123,27.03,7.016,20.029,33]dotetraconta-1(40),10,12,14(42),23,25,27(41),36,38-nonaen-5-yl]-2-[3-[2-[[(5S,7S,20S,33S)-2,8,15,21,28,34-hexaoxo-3,9,16,22,29,35,40,41,42-nonazaheptacyclo[34.3.1.110,14.123,27.03,7.016,20.029,33]dotetraconta-1(40),10,12,14(42),23,25,27(41),36,38-nonaen-5-yl]amino]-2-oxoethyl]phenyl]acetamide
CID 177534925

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide (CID 159023045) is N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide is CCC(C)CC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(C)N(C)C(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.Cc1cc(C(=O)CCC(C)F)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N(C)C(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is JTYAFEXNGFOWLT-QLICGABJSA-N. The full InChI is InChI=1S/C30H40ClN5O3.C30H39ClN4O3.C29H36ClFN4O3.C29H38ClN5O3/c1-6-21(4)34(5)30(39)23-16-20(3)32-27(17-23)33-29(38)26-9-10-28(37)36(26)24-11-13-35(14-12-24)18-22-7-8-25(31)19(2)15-22;1-5-19(2)14-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-9-29(37)35(26)24-10-12-34(13-11-24)18-22-6-7-25(31)20(3)15-22;1-18-14-21(5-6-24(18)30)17-34-12-10-23(11-13-34)35-25(7-9-28(35)37)29(38)33-27-16-22(15-20(3)32-27)26(36)8-4-19(2)31;1-18(2)33(5)29(38)22-15-20(4)31-26(16-22)32-28(37)25-8-9-27(36)35(25)23-10-12-34(13-11-23)17-21-6-7-24(30)19(3)14-21/h7-8,15-17,21,24,26H,6,9-14,18H2,1-5H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);5-6,14-16,19,23,25H,4,7-13,17H2,1-3H3,(H,32,33,38);6-7,14-16,18,23,25H,8-13,17H2,1-5H3,(H,31,32,37)/t21?,26-;19?,26-;19?,25-;25-/m1111/s1.
What are the key properties of N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide?
N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 2176.45 g/mol, XLogP of 20.07, 33 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethylpyridine-4-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[4-(4-fluoropentanoyl)-6-methyl-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-N-[6-methyl-4-(3-methylpentanoyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxamide;2-[[(2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,6-dimethyl-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 159023045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).