(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide

C155H195F3N20O20 — CID 167701984

IUPAC(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN2CCC(F)(F)C2)ccc1=O)c1cccc(-c2ccccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(C)=O)c2cncc(-c3c(C)cccc3F)c2)c1.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1
InChIInChI=1S/C34H41F2N3O3.2C31H40N4O5.C30H37FN4O3.C29H37N5O4/c1-23(2)18-31(39-21-26(12-13-32(39)41)14-16-38-17-15-34(35,36)22-38)33(42)37-30(19-25(4)40)28-10-7-9-27(20-28)29-11-6-5-8-24(29)3;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-19(2)13-27(35-18-22(11-12-32-5)9-10-28(35)37)30(38)34-26(14-21(4)36)23-15-24(17-33-16-23)29-20(3)7-6-8-25(29)31;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4/h5-13,20-21,23,30-31H,14-19,22H2,1-4H3,(H,37,42);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);6-10,15-19,26-27,32H,11-14H2,1-5H3,(H,34,38);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37)/t30-,31-;26-,27-;26-,27?;26-,27-;24-,25-/m00000/s1
InChIKeyYNKPCBGPZJCWDX-AMICZPKMSA-N
MW2715.38 g/mol
LogP23.03
Rot. Bonds61

About (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide

(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide (PubChem CID 167701984) has the molecular formula C155H195F3N20O20 and a molecular weight of 2715.38 g/mol. Its IUPAC name is (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide
PubChem CID167701984
Molecular FormulaC155H195F3N20O20
Molecular Weight2715.38 g/mol
Exact Mass2713.48
IUPAC Name(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN2CCC(F)(F)C2)ccc1=O)c1cccc(-c2ccccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(C)=O)c2cncc(-c3c(C)cccc3F)c2)c1.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1
InChIInChI=1S/C34H41F2N3O3.2C31H40N4O5.C30H37FN4O3.C29H37N5O4/c1-23(2)18-31(39-21-26(12-13-32(39)41)14-16-38-17-15-34(35,36)22-38)33(42)37-30(19-25(4)40)28-10-7-9-27(20-28)29-11-6-5-8-24(29)3;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-19(2)13-27(35-18-22(11-12-32-5)9-10-28(35)37)30(38)34-26(14-21(4)36)23-15-24(17-33-16-23)29-20(3)7-6-8-25(29)31;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4/h5-13,20-21,23,30-31H,14-19,22H2,1-4H3,(H,37,42);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);6-10,15-19,26-27,32H,11-14H2,1-5H3,(H,34,38);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37)/t30-,31-;26-,27-;26-,27?;26-,27-;24-,25-/m00000/s1
InChIKeyYNKPCBGPZJCWDX-AMICZPKMSA-N
XLogP23.03
TPSA509.44 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds61
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002715.38
LogP ≤ 523.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[5-[3-[[1-[(2R)-1-[[(1S)-2-carboxy-1-[5-[3-[[1-[(2S)-1-[[(1S)-2-carboxy-1-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-4-pyridinyl]methyl]-2-methoxy-6-methylphenyl]-3-pyridinyl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-oxo-4-pyridinyl]methyl]-2-methoxy-6-methylphenyl]-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146189910
2-Methyl-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;4-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid;6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid
CID 157159584
cumene;N,N-dimethyl-4-propan-2-ylbenzamide;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-2-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-1,4-diazepane;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-propan-2-ylazetidine;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157226026
1-[2-(2-fluorophenoxy)ethyl]-N-[(3-methylphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide;1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxylic acid;pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 157267566
cumene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)-1,4-diazepane;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-propan-2-ylazetidine;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157438131
CID 157507971
CID 157507971
CID 157746401
CID 157746401
2-Methoxy-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;2-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;3-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine;methyl 2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-4-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate;methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylate;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxamide;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxamide;2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-3-carboxylic acid;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylic acid
CID 157798340
5-[2-[3-(1,1-difluoroethyl)-5-fluorophenoxy]ethyl]-N-(2-methylbutyl)pyridine-2-carboxamide;5-[[2-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[(3-fluoro-4-methylphenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[(3-fluorophenyl)methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-fluoro-5-(trifluoromethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 157907869
CID 158190955
CID 158190955
(6R,9aS)-2-benzyl-6-(4-methoxy-2,3-dimethylphenyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-one;(6R,9aS)-2-benzyl-6-(4-methoxy-2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;[(6R,9aS)-6-(2,3-dimethyl-4-propoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;[(6R,9aS)-6-(4-hydroxy-2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine;[(6R,9aS)-6-(4-methoxy-2,3-dimethylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;(E)-1-[(2S)-4-benzylpiperazin-2-yl]-4-(4-methoxy-2,3-dimethylphenyl)but-3-en-2-one;tert-butyl (2S)-4-benzyl-2-(2-oxopropyl)piperazine-1-carboxylate;4-methoxy-2,3-dimethylbenzaldehyde
CID 158641937
(2R)-2-(5,5-dimethyl-2-oxopiperidin-1-yl)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;3-[5-(2,6-dimethylphenyl)-6-methyl-3-pyridinyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid;(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(2-methoxy-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
CID 158710621

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide?
The IUPAC name of (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide (CID 167701984) is (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide.
What is the SMILES notation for (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide?
The canonical SMILES for (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide is CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN2CCC(F)(F)C2)ccc1=O)c1cccc(-c2ccccc2C)c1.CCC(C(=O)N[C@@H](CC(=O)O)c1cncc(-c2c(C)cccc2C)c1)n1cc(CCN(C)CCOC)ccc1=O.CNCCc1ccc(=O)n([C@@H](CC(C)C)C(=O)N[C@@H](CC(C)=O)c2cncc(-c3c(C)cccc3F)c2)c1.COc1cc(C)c(-c2cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n3c(CN(C)C)cccc3=O)c2)c(C)c1.Cc1ccnc(C)c1-c1cncc([C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)n2c(CN(C)C)cccc2=O)c1.
What is the InChIKey of (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide?
The InChIKey is YNKPCBGPZJCWDX-AMICZPKMSA-N. The full InChI is InChI=1S/C34H41F2N3O3.2C31H40N4O5.C30H37FN4O3.C29H37N5O4/c1-23(2)18-31(39-21-26(12-13-32(39)41)14-16-38-17-15-34(35,36)22-38)33(42)37-30(19-25(4)40)28-10-7-9-27(20-28)29-11-6-5-8-24(29)3;1-19(2)11-27(35-24(18-34(5)6)9-8-10-28(35)36)31(39)33-26(15-29(37)38)22-14-23(17-32-16-22)30-20(3)12-25(40-7)13-21(30)4;1-6-27(35-20-23(10-11-28(35)36)12-13-34(4)14-15-40-5)31(39)33-26(17-29(37)38)24-16-25(19-32-18-24)30-21(2)8-7-9-22(30)3;1-19(2)13-27(35-18-22(11-12-32-5)9-10-28(35)37)30(38)34-26(14-21(4)36)23-15-24(17-33-16-23)29-20(3)7-6-8-25(29)31;1-18(2)12-25(34-23(17-33(5)6)8-7-9-26(34)35)29(38)32-24(14-27(36)37)21-13-22(16-30-15-21)28-19(3)10-11-31-20(28)4/h5-13,20-21,23,30-31H,14-19,22H2,1-4H3,(H,37,42);8-10,12-14,16-17,19,26-27H,11,15,18H2,1-7H3,(H,33,39)(H,37,38);7-11,16,18-20,26-27H,6,12-15,17H2,1-5H3,(H,33,39)(H,37,38);6-10,15-19,26-27,32H,11-14H2,1-5H3,(H,34,38);7-11,13,15-16,18,24-25H,12,14,17H2,1-6H3,(H,32,38)(H,36,37)/t30-,31-;26-,27-;26-,27?;26-,27-;24-,25-/m00000/s1.
What are the key properties of (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide?
(2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide has a molecular weight of 2715.38 g/mol, XLogP of 23.03, 61 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-2-oxo-1-pyridinyl]-4-methyl-N-[(1S)-1-[3-(2-methylphenyl)phenyl]-3-oxobutyl]pentanamide;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]propanoic acid;(3S)-3-[[(2S)-2-[2-[(dimethylamino)methyl]-6-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(4-methoxy-2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-2-[5-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-oxo-1-pyridinyl]butanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2-fluoro-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[5-[2-(methylamino)ethyl]-2-oxo-1-pyridinyl]pentanamide is sourced from PubChem (CID 167701984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).