(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid

C137H156F6N14O18 — CID 159967865

IUPAC(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
SMILESCC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CC(C)(C)CCC1=O)c1cncc(-c2c(C)cccc2C)c1.COc1cccc(C)c1-c1cncc([C@H](CC(C)=O)NC(=O)[C@@H](CC(C)C)n2ccc(C)cc2=O)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C30H41N3O3.C29H35N3O4.C29H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-19(2)13-26(33-18-30(6,7)12-11-27(33)35)29(36)32-25(14-22(5)34)23-15-24(17-31-16-23)28-20(3)9-8-10-21(28)4;1-18(2)12-25(32-11-10-19(3)13-27(32)34)29(35)31-24(14-21(5)33)22-15-23(17-30-16-22)28-20(4)8-7-9-26(28)36-6;1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h8-10,15-17,19,25-26H,11-14,18H2,1-7H3,(H,32,36);7-11,13,15-18,24-25H,12,14H2,1-6H3,(H,31,35);7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;24-,25+;25-,26+;;20-/m001.0/s1
InChIKeyOEDXTWAOMYJBHV-ICTGEKNJSA-N
MW2400.82 g/mol
LogP24.15
Rot. Bonds42

About (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid

(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid (PubChem CID 159967865) has the molecular formula C137H156F6N14O18 and a molecular weight of 2400.82 g/mol. Its IUPAC name is (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
PubChem CID159967865
Molecular FormulaC137H156F6N14O18
Molecular Weight2400.82 g/mol
Exact Mass2399.16
IUPAC Name(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
SMILESCC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CC(C)(C)CCC1=O)c1cncc(-c2c(C)cccc2C)c1.COc1cccc(C)c1-c1cncc([C@H](CC(C)=O)NC(=O)[C@@H](CC(C)C)n2ccc(C)cc2=O)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1
InChIInChI=1S/C30H41N3O3.C29H35N3O4.C29H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-19(2)13-26(33-18-30(6,7)12-11-27(33)35)29(36)32-25(14-22(5)34)23-15-24(17-31-16-23)28-20(3)9-8-10-21(28)4;1-18(2)12-25(32-11-10-19(3)13-27(32)34)29(35)31-24(14-21(5)33)22-15-23(17-30-16-22)28-20(4)8-7-9-26(28)36-6;1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h8-10,15-17,19,25-26H,11-14,18H2,1-7H3,(H,32,36);7-11,13,15-18,24-25H,12,14H2,1-6H3,(H,31,35);7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;24-,25+;25-,26+;;20-/m001.0/s1
InChIKeyOEDXTWAOMYJBHV-ICTGEKNJSA-N
XLogP24.15
TPSA440.41 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002400.82
LogP ≤ 524.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[2-[5-[2-[3-[(1S)-2-carboxy-1-[[2-[4-[3-[5-[(1S)-2-carboxy-1-[[4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-difluorophenyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]ethyl]phenoxy]phenyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-(3-phenoxyphenyl)propanoic acid
CID 146189739
(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
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
N-cyclopropyl-3-[(1R)-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(3-fluorophenyl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[[1-(1-methoxyethenyl)piperidin-4-yl]methyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(6-methoxy-3-pyridinyl)benzamide;methyl 4-[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]piperidine-1-carboxylate
CID 158915943
2-(1-adamantyl)-N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]acetamide;2-(1-adamantyl)-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide;2-(1-adamantyl)-N-[2-oxo-2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]acetamide
CID 159130626

Frequently Asked Questions

What is the IUPAC name of (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The IUPAC name of (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid (CID 159967865) is (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid.
What is the SMILES notation for (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The canonical SMILES for (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid is CC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)N1CC(C)(C)CCC1=O)c1cncc(-c2c(C)cccc2C)c1.COc1cccc(C)c1-c1cncc([C@H](CC(C)=O)NC(=O)[C@@H](CC(C)C)n2ccc(C)cc2=O)c1.Cc1cccc(C)c1-c1cc(C(CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cnc1C.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1.
What is the InChIKey of (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
The InChIKey is OEDXTWAOMYJBHV-ICTGEKNJSA-N. The full InChI is InChI=1S/C30H41N3O3.C29H35N3O4.C29H35N3O3.C25H24F3N3O4.C24H21F3N2O4/c1-19(2)13-26(33-18-30(6,7)12-11-27(33)35)29(36)32-25(14-22(5)34)23-15-24(17-31-16-23)28-20(3)9-8-10-21(28)4;1-18(2)12-25(32-11-10-19(3)13-27(32)34)29(35)31-24(14-21(5)33)22-15-23(17-30-16-22)28-20(4)8-7-9-26(28)36-6;1-18(2)12-26(32-11-10-19(3)13-27(32)34)29(35)31-25(14-22(6)33)23-15-24(17-30-16-23)28-20(4)8-7-9-21(28)5;1-14-5-4-6-15(2)24(14)19-9-17(11-29-16(19)3)20(10-23(34)35)30-21(32)13-31-12-18(25(26,27)28)7-8-22(31)33;1-15-5-2-3-8-19(15)16-6-4-7-17(11-16)20(12-23(32)33)28-21(30)14-29-13-18(24(25,26)27)9-10-22(29)31/h8-10,15-17,19,25-26H,11-14,18H2,1-7H3,(H,32,36);7-11,13,15-18,24-25H,12,14H2,1-6H3,(H,31,35);7-11,13,15-18,25-26H,12,14H2,1-6H3,(H,31,35);4-9,11-12,20H,10,13H2,1-3H3,(H,30,32)(H,34,35);2-11,13,20H,12,14H2,1H3,(H,28,30)(H,32,33)/t25-,26+;24-,25+;25-,26+;;20-/m001.0/s1.
What are the key properties of (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid?
(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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid has a molecular weight of 2400.82 g/mol, XLogP of 24.15, 42 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid is sourced from PubChem (CID 159967865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).