(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

C105H129Cl4N17O10 — CID 159206714

IUPAC(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
SMILESC=C1CC[C@H](C(=O)Nc2cc(CC)ccn2)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1.CCC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl
InChIInChI=1S/C27H33ClN4O3.C26H32ClN5O3.C26H31ClN4O3.C26H33ClN4O/c1-4-24(33)20-14-18(3)29-25(15-20)30-27(35)23-7-8-26(34)32(23)21-9-11-31(12-10-21)16-19-5-6-22(28)17(2)13-19;1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3;1-3-23(32)21-5-4-6-24(28-21)29-26(34)22-9-10-25(33)31(22)19-11-13-30(14-12-19)16-18-7-8-20(27)17(2)15-18;1-4-20-9-12-28-25(16-20)29-26(32)24-8-5-19(3)31(24)22-10-13-30(14-11-22)17-21-6-7-23(27)18(2)15-21/h5-6,13-15,21,23H,4,7-12,16H2,1-3H3,(H,29,30,35);4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34);4-8,15,19,22H,3,9-14,16H2,1-2H3,(H,28,29,34);6-7,9,12,15-16,22,24H,3-5,8,10-11,13-14,17H2,1-2H3,(H,28,29,32)/t23-;2*22-;24-/m1111/s1
InChIKeyKPZBVTOHXQXFDZ-RFQFZNFWSA-N
MW1931.11 g/mol
LogP17.30
Rot. Bonds26

About (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

(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 (PubChem CID 159206714) has the molecular formula C105H129Cl4N17O10 and a molecular weight of 1931.11 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159206714
Molecular FormulaC105H129Cl4N17O10
Molecular Weight1931.11 g/mol
Exact Mass1927.89
IUPAC Name(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
SMILESC=C1CC[C@H](C(=O)Nc2cc(CC)ccn2)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1.CCC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl
InChIInChI=1S/C27H33ClN4O3.C26H32ClN5O3.C26H31ClN4O3.C26H33ClN4O/c1-4-24(33)20-14-18(3)29-25(15-20)30-27(35)23-7-8-26(34)32(23)21-9-11-31(12-10-21)16-19-5-6-22(28)17(2)13-19;1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3;1-3-23(32)21-5-4-6-24(28-21)29-26(34)22-9-10-25(33)31(22)19-11-13-30(14-12-19)16-18-7-8-20(27)17(2)15-18;1-4-20-9-12-28-25(16-20)29-26(32)24-8-5-19(3)31(24)22-10-13-30(14-11-22)17-21-6-7-23(27)18(2)15-21/h5-6,13-15,21,23H,4,7-12,16H2,1-3H3,(H,29,30,35);4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34);4-8,15,19,22H,3,9-14,16H2,1-2H3,(H,28,29,34);6-7,9,12,15-16,22,24H,3-5,8,10-11,13-14,17H2,1-2H3,(H,28,29,32)/t23-;2*22-;24-/m1111/s1
InChIKeyKPZBVTOHXQXFDZ-RFQFZNFWSA-N
XLogP17.30
TPSA299.54 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001931.11
LogP ≤ 517.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze (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 with MolForge

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Related Compounds

(2-Amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 157302654
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
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(4,6-dimethyl-2-pyridinyl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[4-methyl-1-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[4-methyl-1-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[4-methyl-1-(6-methyl-2-pyridinyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
CID 173550530
bis(4-[1-(4-chlorophenyl)-1-oxobutan-2-yl]-3-oxo-N-phenyl-2-pyridin-2-yl-2-(1,2,4-triazol-4-yl)piperazine-1-carboxamide);hydrate
CID 88342711
bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide);bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide)
CID 157729329
bis(1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide);1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide;1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 157768470
6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(3-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-4H-imidazol-2-yl)phenyl]-8-ethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(1-methylimidazol-2-yl)-3-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157770731
6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1H-inden-4-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1-methylpyrrol-3-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-propanoyl-4-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-[4-(1-methylpyrrol-3-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one
CID 157909815
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide
CID 157944907
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
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]benzamide;5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(pyrrolidine-1-carboximidoyl)phenyl]ethyl]benzamide;methane
CID 158517920
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C1CC[C@H](C(=O)Nc2cc(CC)ccn2)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1.CCC(=O)c1cc(C)nc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1.CCC(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)n1.Cc1cc(CN2CCC(N3C(=O)CC[C@@H]3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl.
What is the InChIKey of (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?
The InChIKey is KPZBVTOHXQXFDZ-RFQFZNFWSA-N. The full InChI is InChI=1S/C27H33ClN4O3.C26H32ClN5O3.C26H31ClN4O3.C26H33ClN4O/c1-4-24(33)20-14-18(3)29-25(15-20)30-27(35)23-7-8-26(34)32(23)21-9-11-31(12-10-21)16-19-5-6-22(28)17(2)13-19;1-17-14-18(4-5-21(17)27)16-31-12-9-20(10-13-31)32-22(6-7-24(32)33)25(34)29-23-15-19(8-11-28-23)26(35)30(2)3;1-3-23(32)21-5-4-6-24(28-21)29-26(34)22-9-10-25(33)31(22)19-11-13-30(14-12-19)16-18-7-8-20(27)17(2)15-18;1-4-20-9-12-28-25(16-20)29-26(32)24-8-5-19(3)31(24)22-10-13-30(14-11-22)17-21-6-7-23(27)18(2)15-21/h5-6,13-15,21,23H,4,7-12,16H2,1-3H3,(H,29,30,35);4-5,8,11,14-15,20,22H,6-7,9-10,12-13,16H2,1-3H3,(H,28,29,34);4-8,15,19,22H,3,9-14,16H2,1-2H3,(H,28,29,34);6-7,9,12,15-16,22,24H,3-5,8,10-11,13-14,17H2,1-2H3,(H,28,29,32)/t23-;2*22-;24-/m1111/s1.
What are the key properties of (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?
(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 has a molecular weight of 1931.11 g/mol, XLogP of 17.30, 26 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159206714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).