(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid

C137H172F3N15O16 — CID 158160248

IUPAC(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccc(C)c(N2CCCCC2)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccnc(-c2ccccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1ccnc(N2[C@H](C)CC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1ccc(C)c(-c2ccccc2C)c1.Cc1ccccc1-c1cc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)cnc1C(F)(F)F
InChIInChI=1S/C29H34N2O3.C27H32F3N3O4.C27H38N4O3.C27H37N3O3.C27H31N3O3/c1-19(2)16-27(31-15-9-8-12-28(31)33)29(34)30-26(17-22(5)32)23-14-13-21(4)25(18-23)24-11-7-6-10-20(24)3;1-16(2)12-22(33-11-7-6-10-23(33)34)26(37)32-21(14-24(35)36)18-13-20(19-9-5-4-8-17(19)3)25(31-15-18)27(28,29)30;1-17(2)13-24(30-12-10-18(3)14-26(30)33)27(34)29-23(15-21(6)32)22-9-11-28-25(16-22)31-19(4)7-8-20(31)5;1-19(2)16-25(30-15-9-6-10-26(30)32)27(33)28-23(17-21(4)31)22-12-11-20(3)24(18-22)29-13-7-5-8-14-29;1-18(2)15-25(30-14-8-7-11-26(30)32)27(33)29-23(16-20(4)31)21-12-13-28-24(17-21)22-10-6-5-9-19(22)3/h6-15,18-19,26-27H,16-17H2,1-5H3,(H,30,34);4-5,8-9,13,15-16,21-22H,6-7,10-12,14H2,1-3H3,(H,32,37)(H,35,36);9-12,14,16-17,19-20,23-24H,7-8,13,15H2,1-6H3,(H,29,34);6,9-12,15,18-19,23,25H,5,7-8,13-14,16-17H2,1-4H3,(H,28,33);5-14,17-18,23,25H,15-16H2,1-4H3,(H,29,33)/t26-,27-;21-,22?;19-,20+,23-,24-;2*23-,25?/m00000/s1
InChIKeyFWEHDNFMFWPIQP-MQEJKCNPSA-N
MW2341.97 g/mol
LogP24.26
Rot. Bonds45

About (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid

(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid (PubChem CID 158160248) has the molecular formula C137H172F3N15O16 and a molecular weight of 2341.97 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
PubChem CID158160248
Molecular FormulaC137H172F3N15O16
Molecular Weight2341.97 g/mol
Exact Mass2340.31
IUPAC Name(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccc(C)c(N2CCCCC2)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccnc(-c2ccccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1ccnc(N2[C@H](C)CC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1ccc(C)c(-c2ccccc2C)c1.Cc1ccccc1-c1cc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)cnc1C(F)(F)F
InChIInChI=1S/C29H34N2O3.C27H32F3N3O4.C27H38N4O3.C27H37N3O3.C27H31N3O3/c1-19(2)16-27(31-15-9-8-12-28(31)33)29(34)30-26(17-22(5)32)23-14-13-21(4)25(18-23)24-11-7-6-10-20(24)3;1-16(2)12-22(33-11-7-6-10-23(33)34)26(37)32-21(14-24(35)36)18-13-20(19-9-5-4-8-17(19)3)25(31-15-18)27(28,29)30;1-17(2)13-24(30-12-10-18(3)14-26(30)33)27(34)29-23(15-21(6)32)22-9-11-28-25(16-22)31-19(4)7-8-20(31)5;1-19(2)16-25(30-15-9-6-10-26(30)32)27(33)28-23(17-21(4)31)22-12-11-20(3)24(18-22)29-13-7-5-8-14-29;1-18(2)15-25(30-14-8-7-11-26(30)32)27(33)29-23(16-20(4)31)21-12-13-28-24(17-21)22-10-6-5-9-19(22)3/h6-15,18-19,26-27H,16-17H2,1-5H3,(H,30,34);4-5,8-9,13,15-16,21-22H,6-7,10-12,14H2,1-3H3,(H,32,37)(H,35,36);9-12,14,16-17,19-20,23-24H,7-8,13,15H2,1-6H3,(H,29,34);6,9-12,15,18-19,23,25H,5,7-8,13-14,16-17H2,1-4H3,(H,28,33);5-14,17-18,23,25H,15-16H2,1-4H3,(H,29,33)/t26-,27-;21-,22?;19-,20+,23-,24-;2*23-,25?/m00000/s1
InChIKeyFWEHDNFMFWPIQP-MQEJKCNPSA-N
XLogP24.26
TPSA404.54 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds45
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002341.97
LogP ≤ 524.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-[5-Ethyl-2-oxo-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]acetyl]amino]-3-quinolin-3-ylpropanoic acid;2,2,2-trifluoroacetic acid
CID 70095111
(3S)-3-[[5-[(3S)-3-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoyl]oxy-4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 146183020
(3S)-3-[3-(2,5-dimethyl-6-methylidene-1H-pyridin-3-yl)phenyl]-3-[[(2R)-4-methyl-2-(2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,4-dimethyl-3-pyridinyl)-3-pyridinyl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 157519916
(3S)-3-[[2-[8-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]propanoic acid;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanamide;(3S)-3-[[(2S)-4-methyl-2-(2-oxopyrazin-1-yl)pentanoyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
CID 158909742
(3S)-3-[2-(2,6-dimethylphenyl)-4-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanoyl]amino]propanoic acid;N-[(1S)-1-[6-ethyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
CID 159146465
2-amino-8-N-[6-[[4-(2-aminoethylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-[4-(2-aminoethylcarbamoyl)piperidin-1-yl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[6-(4-aminopiperidin-1-yl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-[6-[[4-(propylcarbamoyl)phenyl]methyl]-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-3H-1-benzazepine-4,8-dicarboxamide;2-amino-4-N,4-N-dipropyl-8-N-(5-pyrrolidin-3-yl-3-pyridinyl)-3H-1-benzazepine-4,8-dicarboxamide;bis(2,2,2-trifluoroacetic acid)
CID 159187543
(3S)-3-[2-(2,6-dimethylphenyl)-4-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanoyl]amino]propanoic acid;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
CID 159213072
2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide;1-[1-(2-oxo-1-pyridin-2-ylpropyl)piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-(2-oxo-1-pyridin-3-ylpropyl)piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one
CID 159399833
2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide;1-[1-(2-oxo-1-pyridin-2-ylpropyl)piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;1-[1-(2-oxo-1-pyridin-3-ylpropyl)piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;2-pyridin-3-yl-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid
CID 159482167
(3S)-3-[3-(2,6-dimethylphenyl)phenyl]-3-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid;(3S)-3-[2-(2,6-dimethylphenyl)-4-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid;(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[4,4,4-trifluoro-2-(2-oxo-1-pyridinyl)butanoyl]amino]propanoic acid;N-[(1S)-1-[6-ethyl-5-(2-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
CID 159664896
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)-4-methyl-N-[(1S)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2R)-4-methyl-N-[(1S)-1-[3-[(2S)-2-methylpyrrolidin-1-yl]phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]propanoic acid
CID 159761819
2-(4-acetylphenyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-[1-[1-(3-butanoylphenyl)-3-oxobutan-2-yl]piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one;3,3-difluoro-1-(2-oxopropyl)-N-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propyl]piperidine-4-carboxamide;N-[3-(6-ethyl-2-pyridinyl)propyl]-1-(2-oxopropyl)piperidine-4-carboxamide;2-(6-methyl-3-pyridinyl)-2-[4-[3-(5,6,7,8-tetrahydroquinolin-2-yl)propylcarbamoyl]piperidin-1-yl]acetic acid;1-(2-oxopropyl)-N-(5-pyridin-2-ylpentyl)piperidine-4-carboxamide;1-[1-(2-oxo-1-pyridin-2-ylpropyl)piperidin-4-yl]-5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentan-1-one
CID 160026524

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid (CID 158160248) is (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid is CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccc(C)c(N2CCCCC2)c1.CC(=O)C[C@H](NC(=O)C(CC(C)C)n1ccccc1=O)c1ccnc(-c2ccccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccc(C)cc1=O)c1ccnc(N2[C@H](C)CC[C@@H]2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1ccc(C)c(-c2ccccc2C)c1.Cc1ccccc1-c1cc([C@H](CC(=O)O)NC(=O)C(CC(C)C)N2CCCCC2=O)cnc1C(F)(F)F.
What is the InChIKey of (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The InChIKey is FWEHDNFMFWPIQP-MQEJKCNPSA-N. The full InChI is InChI=1S/C29H34N2O3.C27H32F3N3O4.C27H38N4O3.C27H37N3O3.C27H31N3O3/c1-19(2)16-27(31-15-9-8-12-28(31)33)29(34)30-26(17-22(5)32)23-14-13-21(4)25(18-23)24-11-7-6-10-20(24)3;1-16(2)12-22(33-11-7-6-10-23(33)34)26(37)32-21(14-24(35)36)18-13-20(19-9-5-4-8-17(19)3)25(31-15-18)27(28,29)30;1-17(2)13-24(30-12-10-18(3)14-26(30)33)27(34)29-23(15-21(6)32)22-9-11-28-25(16-22)31-19(4)7-8-20(31)5;1-19(2)16-25(30-15-9-6-10-26(30)32)27(33)28-23(17-21(4)31)22-12-11-20(3)24(18-22)29-13-7-5-8-14-29;1-18(2)15-25(30-14-8-7-11-26(30)32)27(33)29-23(16-20(4)31)21-12-13-28-24(17-21)22-10-6-5-9-19(22)3/h6-15,18-19,26-27H,16-17H2,1-5H3,(H,30,34);4-5,8-9,13,15-16,21-22H,6-7,10-12,14H2,1-3H3,(H,32,37)(H,35,36);9-12,14,16-17,19-20,23-24H,7-8,13,15H2,1-6H3,(H,29,34);6,9-12,15,18-19,23,25H,5,7-8,13-14,16-17H2,1-4H3,(H,28,33);5-14,17-18,23,25H,15-16H2,1-4H3,(H,29,33)/t26-,27-;21-,22?;19-,20+,23-,24-;2*23-,25?/m00000/s1.
What are the key properties of (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
(2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid has a molecular weight of 2341.97 g/mol, XLogP of 24.26, 45 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(2S)-4-methyl-N-[(1S)-1-[4-methyl-3-(2-methylphenyl)phenyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-[2-(2-methylphenyl)-4-pyridinyl]-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;4-methyl-N-[(1S)-1-(4-methyl-3-piperidin-1-ylphenyl)-3-oxobutyl]-2-(2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[4-methyl-2-(2-oxopiperidin-1-yl)pentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 158160248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).