4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid

C14H20N2O4 — CID 120528619

IUPAC4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1cccc(=O)n1C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-10(14(19)20)8-15-13(18)11-5-4-6-12(17)16(11)3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyGQKZOUIIXCZFDV-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.86
Rot. Bonds6

About 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid

4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 120528619) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID120528619
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)c1cccc(=O)n1C)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)7-10(14(19)20)8-15-13(18)11-5-4-6-12(17)16(11)3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyGQKZOUIIXCZFDV-UHFFFAOYSA-N
XLogP0.86
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-[[(2,6-dimethylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 103925730
4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
2-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119252720
5-[(1-methyl-6-oxopyridine-2-carbonyl)amino]pentanoic acid
CID 120525358
2-[[(3-fluoro-2-methylbenzoyl)amino]methyl]-4-methylpentanoic acid
CID 122108013
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
2-methyl-3-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]propanoic acid
CID 120524378
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
4-methyl-2-[[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]methyl]pentanoic acid
CID 119253300
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid (CID 120528619) is 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)c1cccc(=O)n1C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is GQKZOUIIXCZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)7-10(14(19)20)8-15-13(18)11-5-4-6-12(17)16(11)3/h4-6,9-10H,7-8H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid?
4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1-methyl-6-oxopyridine-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 120528619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).