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

C12H16N2O4 — CID 120513926

IUPAC4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cccc(=O)n1C
InChIInChI=1S/C12H16N2O4/c1-13(8-4-7-11(16)17)12(18)9-5-3-6-10(15)14(9)2/h3,5-6H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyCNXQTGZLPDHXJP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds5

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

4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid (PubChem CID 120513926) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid
PubChem CID120513926
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cccc(=O)n1C
InChIInChI=1S/C12H16N2O4/c1-13(8-4-7-11(16)17)12(18)9-5-3-6-10(15)14(9)2/h3,5-6H,4,7-8H2,1-2H3,(H,16,17)
InChIKeyCNXQTGZLPDHXJP-UHFFFAOYSA-N
XLogP0.32
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid (CID 120513926) is 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cccc(=O)n1C.
What is the InChIKey of 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is CNXQTGZLPDHXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-13(8-4-7-11(16)17)12(18)9-5-3-6-10(15)14(9)2/h3,5-6H,4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid?
4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methyl-6-oxopyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120513926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).