4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid

C11H16N2O3 — CID 139368073

IUPAC4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid
SMILESCNc1cc(=O)n(C)cc1CCCC(=O)O
InChIInChI=1S/C11H16N2O3/c1-12-9-6-10(14)13(2)7-8(9)4-3-5-11(15)16/h6-7,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyQACIQFVLPTVVFG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.83
Rot. Bonds5

About 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid

4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid (PubChem CID 139368073) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid
PubChem CID139368073
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid
SMILESCNc1cc(=O)n(C)cc1CCCC(=O)O
InChIInChI=1S/C11H16N2O3/c1-12-9-6-10(14)13(2)7-8(9)4-3-5-11(15)16/h6-7,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyQACIQFVLPTVVFG-UHFFFAOYSA-N
XLogP0.83
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]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-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid?
The IUPAC name of 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid (CID 139368073) is 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid?
The canonical SMILES for 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid is CNc1cc(=O)n(C)cc1CCCC(=O)O.
What is the InChIKey of 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid?
The InChIKey is QACIQFVLPTVVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-12-9-6-10(14)13(2)7-8(9)4-3-5-11(15)16/h6-7,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid?
4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(methylamino)-6-oxo-3-pyridinyl]butanoic acid is sourced from PubChem (CID 139368073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).