3-(methylamino)-1-(2-oxopropyl)pyridin-2-one

C9H12N2O2 — CID 59814437

IUPAC3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
SMILESCNc1cccn(CC(C)=O)c1=O
InChIInChI=1S/C9H12N2O2/c1-7(12)6-11-5-3-4-8(10-2)9(11)13/h3-5,10H,6H2,1-2H3
InChIKeyWQPKKAPOPAYPAN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.48
Rot. Bonds3

About 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one

3-(methylamino)-1-(2-oxopropyl)pyridin-2-one (PubChem CID 59814437) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
PubChem CID59814437
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(methylamino)-1-(2-oxopropyl)pyridin-2-one
SMILESCNc1cccn(CC(C)=O)c1=O
InChIInChI=1S/C9H12N2O2/c1-7(12)6-11-5-3-4-8(10-2)9(11)13/h3-5,10H,6H2,1-2H3
InChIKeyWQPKKAPOPAYPAN-UHFFFAOYSA-N
XLogP0.48
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one 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 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one (CID 59814437) is 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one is CNc1cccn(CC(C)=O)c1=O.
What is the InChIKey of 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
The InChIKey is WQPKKAPOPAYPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)6-11-5-3-4-8(10-2)9(11)13/h3-5,10H,6H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one?
3-(methylamino)-1-(2-oxopropyl)pyridin-2-one has a molecular weight of 180.21 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(2-oxopropyl)pyridin-2-one is sourced from PubChem (CID 59814437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).