(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

C113H135F3N12O14 — CID 158710621

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

(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 (PubChem CID 158710621) has the molecular formula C113H135F3N12O14 and a molecular weight of 1942.39 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.

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
• PubChem CID: 158710621
• Molecular Formula: C113H135F3N12O14
• Molecular Weight: 1942.39 g/mol
• Exact Mass: 1941.02
• 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
• SMILES: 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
• InChI: InChI=1S/C30H41N3O3.C29H35N3O4.C29H35N3O3.C25H24F3N3O4/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/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)/t25-,26+;24-,25+;25-,26+;/m001./s1
• InChIKey: IIRAPGAIYCJRGQ-CDJIJIKNSA-N
• XLogP: 19.97
• TPSA: 352.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1942.39
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

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?

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 (CID 158710621) 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.

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?

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 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.

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?

The InChIKey is IIRAPGAIYCJRGQ-CDJIJIKNSA-N. The full InChI is InChI=1S/C30H41N3O3.C29H35N3O4.C29H35N3O3.C25H24F3N3O4/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/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)/t25-,26+;24-,25+;25-,26+;/m001./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?

(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 has a molecular weight of 1942.39 g/mol, XLogP of 19.97, 35 rotatable bonds, 5 hydrogen bond donors, and 20 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 is sourced from PubChem (CID 158710621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).