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

C14H20N2O4 — CID 43619042

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-5-6-14(4,13(19)20)16-12(18)10-8(2)7-9(3)15-11(10)17/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyPFNKQXLWGKAFIY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.36
Rot. Bonds5

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid (PubChem CID 43619042) 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]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid
PubChem CID43619042
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-5-6-14(4,13(19)20)16-12(18)10-8(2)7-9(3)15-11(10)17/h7H,5-6H2,1-4H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyPFNKQXLWGKAFIY-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 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid (CID 43619042) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1c(C)cc(C)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid?
The InChIKey is PFNKQXLWGKAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-6-14(4,13(19)20)16-12(18)10-8(2)7-9(3)15-11(10)17/h7H,5-6H2,1-4H3,(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]-2-methylpentanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-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 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 43619042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).