2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid

C14H20N2O4 — CID 43353292

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)c(C(=O)NC(CC(C)C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-7(2)5-10(14(19)20)16-13(18)11-8(3)6-9(4)15-12(11)17/h6-7,10H,5H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVTAACTZAAHUCJN-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.22
Rot. Bonds5

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 43353292) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID43353292
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)c(C(=O)NC(CC(C)C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-7(2)5-10(14(19)20)16-13(18)11-8(3)6-9(4)15-12(11)17/h6-7,10H,5H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyVTAACTZAAHUCJN-UHFFFAOYSA-N
XLogP1.22
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Abenquine B1
CID 56834467
2-[(4-Acetamido-3,6-dioxocyclohexa-1,4-dien-1-yl)amino]-4-methylpentanoic acid
CID 76416374
(2S)-2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4-fluoro-3-methylbutanoic acid
CID 68167501
(2R)-4-methyl-2-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]pentanoic acid
CID 119363916
4,4,4-trifluoro-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid
CID 121878693
3-fluoro-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]propanoic acid
CID 121945169
4,4-difluoro-2-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]butanoic acid
CID 121956462
2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470228
(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoic acid;1-methyl-2H-pyridine-3-carboxamide
CID 67470229
Methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-methylpentanoate
CID 67519949
Methyl 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 67520147
Methyl 2-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4-methylpentanoate
CID 67522440

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 43353292) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid is Cc1cc(C)c(C(=O)NC(CC(C)C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is VTAACTZAAHUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-7(2)5-10(14(19)20)16-13(18)11-8(3)6-9(4)15-12(11)17/h6-7,10H,5H2,1-4H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 43353292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).