(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide

C28H40N4O4 — CID 167545728

IUPAC(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2C)c1
InChIInChI=1S/C28H40N4O4/c1-18(2)12-25(32-9-8-19(3)13-26(32)34)27(35)30-24(14-20(4)33)22-15-23(17-29-16-22)31-10-11-36-28(6,7)21(31)5/h8-9,13,15-18,21,24-25H,10-12,14H2,1-7H3,(H,30,35)/t21?,24-,25+/m0/s1
InChIKeyWTWQMZOSVMGLOM-DYCCLRLQSA-N
MW496.65 g/mol
LogP3.98
Rot. Bonds9

About (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide

(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide (PubChem CID 167545728) has the molecular formula C28H40N4O4 and a molecular weight of 496.65 g/mol. Its IUPAC name is (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide
PubChem CID167545728
Molecular FormulaC28H40N4O4
Molecular Weight496.65 g/mol
Exact Mass496.30
IUPAC Name(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide
SMILESCC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2C)c1
InChIInChI=1S/C28H40N4O4/c1-18(2)12-25(32-9-8-19(3)13-26(32)34)27(35)30-24(14-20(4)33)22-15-23(17-29-16-22)31-10-11-36-28(6,7)21(31)5/h8-9,13,15-18,21,24-25H,10-12,14H2,1-7H3,(H,30,35)/t21?,24-,25+/m0/s1
InChIKeyWTWQMZOSVMGLOM-DYCCLRLQSA-N
XLogP3.98
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]-3-[5-(2-methylpiperidin-1-yl)-3-pyridinyl]propanoic acid
CID 139579805
(3S)-3-[5-[(3R)-3-cyclopropylpyrrolidin-1-yl]-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146189900
(2S)-N-[(1S)-1-[5-(2-methoxy-6-methylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide
CID 159826304
(3S)-3-[[(2S)-2-[4-[[3-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-2-methoxy-4-methylphenyl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanoyl]amino]-3-[5-(2,2-dimethylmorpholin-4-yl)-3-pyridinyl]propanoic acid
CID 155374637
(3S)-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146189238
(3S)-3-[5-(4-fluoro-2,6-dimethylphenyl)-3-pyridinyl]-3-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 146186675
(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
(3R)-3-[[1-hydroxy-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentyl]amino]-3-[5-[(2S)-2-methylpiperidin-1-yl]-3-pyridinyl]propanoic acid
CID 153352944
methyl (3S)-3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate;methyl (3S)-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoate;(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 159749795
N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanamide;N-[(1S)-1-[5-(2,6-difluorophenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]pentanamide;(2R)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-[2-oxo-4-(trifluoromethyl)piperidin-1-yl]pentanamide
CID 161091025
(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
3-[6-(2,6-dimethylphenyl)pyrazin-2-yl]-3-[[4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]propanoic acid
CID 176789095

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide?
The IUPAC name of (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide (CID 167545728) is (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide.
What is the SMILES notation for (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide?
The canonical SMILES for (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide is CC(=O)C[C@H](NC(=O)[C@@H](CC(C)C)n1ccc(C)cc1=O)c1cncc(N2CCOC(C)(C)C2C)c1.
What is the InChIKey of (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide?
The InChIKey is WTWQMZOSVMGLOM-DYCCLRLQSA-N. The full InChI is InChI=1S/C28H40N4O4/c1-18(2)12-25(32-9-8-19(3)13-26(32)34)27(35)30-24(14-20(4)33)22-15-23(17-29-16-22)31-10-11-36-28(6,7)21(31)5/h8-9,13,15-18,21,24-25H,10-12,14H2,1-7H3,(H,30,35)/t21?,24-,25+/m0/s1.
What are the key properties of (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide?
(2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide has a molecular weight of 496.65 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)-N-[(1S)-3-oxo-1-[5-(2,2,3-trimethylmorpholin-4-yl)-3-pyridinyl]butyl]pentanamide is sourced from PubChem (CID 167545728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).