(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

C112H139Cl4N17O11 — CID 158621031

IUPAC(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
SMILESCc1cc(C(=O)CCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)CCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)N(C)c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C30H37ClN4O3.C30H39ClN4O3.C28H34ClN5O3.C24H29ClN4O2/c1-19-15-22(5-7-25(19)31)18-34-13-11-24(12-14-34)35-26(8-10-29(35)37)30(38)33-28-17-23(16-20(2)32-28)27(36)9-6-21-3-4-21;1-19(2)5-9-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-10-29(37)35(26)24-11-13-34(14-12-24)18-22-6-7-25(31)20(3)15-22;1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33;1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h5,7,15-17,21,24,26H,3-4,6,8-14,18H2,1-2H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36);3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t2*26-;24-;21-/m1111/s1
InChIKeyHXZMJNSITODEFW-JXWPIORZSA-N
MW2041.26 g/mol
LogP18.34
Rot. Bonds29

About (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

(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 (PubChem CID 158621031) has the molecular formula C112H139Cl4N17O11 and a molecular weight of 2041.26 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158621031
Molecular FormulaC112H139Cl4N17O11
Molecular Weight2041.26 g/mol
Exact Mass2037.96
IUPAC Name(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
SMILESCc1cc(C(=O)CCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)CCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)N(C)c3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C30H37ClN4O3.C30H39ClN4O3.C28H34ClN5O3.C24H29ClN4O2/c1-19-15-22(5-7-25(19)31)18-34-13-11-24(12-14-34)35-26(8-10-29(35)37)30(38)33-28-17-23(16-20(2)32-28)27(36)9-6-21-3-4-21;1-19(2)5-9-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-10-29(37)35(26)24-11-13-34(14-12-24)18-22-6-7-25(31)20(3)15-22;1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33;1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h5,7,15-17,21,24,26H,3-4,6,8-14,18H2,1-2H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36);3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t2*26-;24-;21-/m1111/s1
InChIKeyHXZMJNSITODEFW-JXWPIORZSA-N
XLogP18.34
TPSA307.82 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.26
LogP ≤ 518.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze (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 with MolForge

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Launch Full Analysis

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
6-(4-chlorophenyl)-1-methyl-3-[(2S)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;6-(4-chlorophenyl)-1-methyl-3-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-5-pyridin-4-ylpyridin-2-one;3-(3-cyclopropylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;3-(3-ethenylphenyl)-1-methyl-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one;6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-methyl-3-(3-methylphenyl)-4-[2-[[(1S)-1-phenylethyl]amino]-4-pyridinyl]pyridin-2-one;1-methyl-3-(3-methylphenyl)-6-[(2R)-2-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-4-pyridin-4-ylpyridin-2-one
CID 158170278
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[[methyl-[[(1R)-3-oxocyclopentyl]methyl]amino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl-methylamino]methyl]pyrrolidin-2-one;(5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]propyl]pyrrolidin-2-one
CID 158602827
(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
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
(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
6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(1-methylpyrrol-2-yl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 159809944
N-[3-[4-[(5R)-3-(2-aminophenyl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide;6-chloro-N-[3-[4-[(5R)-3-cyclopropyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 160011893
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
N-[(4-chlorophenyl)methyl]-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide;methane;N-[(2-methylphenyl)methyl]-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide;N-[(3-methylphenyl)methyl]-4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanamide
CID 161709614
6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-3-[(1-methylpyrrol-2-yl)methyl]-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-2-oxo-5-phenyl-3-propan-2-ylimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide;6-chloro-2,4-dimethyl-N-[3-[4-[(5R)-5-phenyl-3-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 162046999

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(C(=O)CCC(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)CCC2CC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(C(=O)N2CCC2)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)N(C)c3ccccn3)CC2)ccc1Cl.
What is the InChIKey of (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?
The InChIKey is HXZMJNSITODEFW-JXWPIORZSA-N. The full InChI is InChI=1S/C30H37ClN4O3.C30H39ClN4O3.C28H34ClN5O3.C24H29ClN4O2/c1-19-15-22(5-7-25(19)31)18-34-13-11-24(12-14-34)35-26(8-10-29(35)37)30(38)33-28-17-23(16-20(2)32-28)27(36)9-6-21-3-4-21;1-19(2)5-9-27(36)23-16-21(4)32-28(17-23)33-30(38)26-8-10-29(37)35(26)24-11-13-34(14-12-24)18-22-6-7-25(31)20(3)15-22;1-18-14-20(4-5-23(18)29)17-32-12-8-22(9-13-32)34-24(6-7-26(34)35)27(36)31-25-16-21(15-19(2)30-25)28(37)33-10-3-11-33;1-17-15-18(6-7-20(17)25)16-28-13-10-19(11-14-28)29-21(8-9-23(29)30)24(31)27(2)22-5-3-4-12-26-22/h5,7,15-17,21,24,26H,3-4,6,8-14,18H2,1-2H3,(H,32,33,38);6-7,15-17,19,24,26H,5,8-14,18H2,1-4H3,(H,32,33,38);4-5,14-16,22,24H,3,6-13,17H2,1-2H3,(H,30,31,36);3-7,12,15,19,21H,8-11,13-14,16H2,1-2H3/t2*26-;24-;21-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 2041.26 g/mol, XLogP of 18.34, 29 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158621031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).