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

C14H20N2O4 — CID 62042648

IUPAC4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-8-7-9(2)15-12(19)11(8)13(20)16-14(3,4)6-5-10(17)18/h7H,5-6H2,1-4H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyCQPVPGWWTOYMRQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.36
Rot. Bonds5

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

4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 62042648) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
PubChem CID62042648
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-8-7-9(2)15-12(19)11(8)13(20)16-14(3,4)6-5-10(17)18/h7H,5-6H2,1-4H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyCQPVPGWWTOYMRQ-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid (CID 62042648) is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid is Cc1cc(C)c(C(=O)NC(C)(C)CCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is CQPVPGWWTOYMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-8-7-9(2)15-12(19)11(8)13(20)16-14(3,4)6-5-10(17)18/h7H,5-6H2,1-4H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid?
4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62042648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).