(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid

C108H133N13O14 — CID 158281224

IUPAC(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
SMILESC.CC(=O)C[C@@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cncc2C)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cccc(C)c2=O)c1
InChIInChI=1S/C28H34N4O3.C28H33N3O3.C27H38N4O4.C24H24N2O4.CH4/c1-17(2)9-25(32-8-7-18(3)10-26(32)34)28(35)31-24(11-21(6)33)22-12-23(16-30-15-22)27-19(4)13-29-14-20(27)5;1-18(2)13-25(31-12-7-6-11-26(31)33)28(34)30-24(14-21(5)32)22-15-23(17-29-16-22)27-19(3)9-8-10-20(27)4;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-16-7-3-4-11-20(16)18-9-5-10-19(13-18)21(14-23(28)29)25-22(27)15-26-12-6-8-17(2)24(26)30;/h7-8,10,12-17,24-25H,9,11H2,1-6H3,(H,31,35);6-12,15-18,24-25H,13-14H2,1-5H3,(H,30,34);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);3-13,21H,14-15H2,1-2H3,(H,25,27)(H,28,29);1H4/t2*24-,25+;19-,23+,25?;21-;/m0100./s1
InChIKeyGKFRYUGCULBSQK-FZPVCZOQSA-N
MW1837.33 g/mol
LogP17.21
Rot. Bonds34

About (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid

(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid (PubChem CID 158281224) has the molecular formula C108H133N13O14 and a molecular weight of 1837.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
PubChem CID158281224
Molecular FormulaC108H133N13O14
Molecular Weight1837.33 g/mol
Exact Mass1836.01
IUPAC Name(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid
SMILESC.CC(=O)C[C@@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cncc2C)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cccc(C)c2=O)c1
InChIInChI=1S/C28H34N4O3.C28H33N3O3.C27H38N4O4.C24H24N2O4.CH4/c1-17(2)9-25(32-8-7-18(3)10-26(32)34)28(35)31-24(11-21(6)33)22-12-23(16-30-15-22)27-19(4)13-29-14-20(27)5;1-18(2)13-25(31-12-7-6-11-26(31)33)28(34)30-24(14-21(5)32)22-15-23(17-29-16-22)27-19(3)9-8-10-20(27)4;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-16-7-3-4-11-20(16)18-9-5-10-19(13-18)21(14-23(28)29)25-22(27)15-26-12-6-8-17(2)24(26)30;/h7-8,10,12-17,24-25H,9,11H2,1-6H3,(H,31,35);6-12,15-18,24-25H,13-14H2,1-5H3,(H,30,34);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);3-13,21H,14-15H2,1-2H3,(H,25,27)(H,28,29);1H4/t2*24-,25+;19-,23+,25?;21-;/m0100./s1
InChIKeyGKFRYUGCULBSQK-FZPVCZOQSA-N
XLogP17.21
TPSA356.94 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.33
LogP ≤ 517.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Analyze (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid?
The IUPAC name of (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid (CID 158281224) is (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid is C.CC(=O)C[C@@H](NC(=O)C(CC(C)C)n1ccc(C)cc1=O)c1cnc(C)c(N2CCOC[C@@H]2C)c1.CC(=O)C[C@@H](NC(=O)[C@H](CC(C)C)n1ccccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(-c2c(C)cncc2C)c1.Cc1ccccc1-c1cccc([C@H](CC(=O)O)NC(=O)Cn2cccc(C)c2=O)c1.
What is the InChIKey of (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid?
The InChIKey is GKFRYUGCULBSQK-FZPVCZOQSA-N. The full InChI is InChI=1S/C28H34N4O3.C28H33N3O3.C27H38N4O4.C24H24N2O4.CH4/c1-17(2)9-25(32-8-7-18(3)10-26(32)34)28(35)31-24(11-21(6)33)22-12-23(16-30-15-22)27-19(4)13-29-14-20(27)5;1-18(2)13-25(31-12-7-6-11-26(31)33)28(34)30-24(14-21(5)32)22-15-23(17-29-16-22)27-19(3)9-8-10-20(27)4;1-17(2)11-25(31-8-7-18(3)12-26(31)33)27(34)29-23(13-20(5)32)22-14-24(21(6)28-15-22)30-9-10-35-16-19(30)4;1-16-7-3-4-11-20(16)18-9-5-10-19(13-18)21(14-23(28)29)25-22(27)15-26-12-6-8-17(2)24(26)30;/h7-8,10,12-17,24-25H,9,11H2,1-6H3,(H,31,35);6-12,15-18,24-25H,13-14H2,1-5H3,(H,30,34);7-8,12,14-15,17,19,23,25H,9-11,13,16H2,1-6H3,(H,29,34);3-13,21H,14-15H2,1-2H3,(H,25,27)(H,28,29);1H4/t2*24-,25+;19-,23+,25?;21-;/m0100./s1.
What are the key properties of (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid?
(2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid has a molecular weight of 1837.33 g/mol, XLogP of 17.21, 34 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(2-oxo-1-pyridinyl)pentanamide;(2R)-N-[(1S)-1-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;methane;4-methyl-N-[(1R)-1-[6-methyl-5-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-3-oxobutyl]-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;(3S)-3-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]-3-[3-(2-methylphenyl)phenyl]propanoic acid is sourced from PubChem (CID 158281224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).