3-amino-1-benzylpyridin-2-one

C12H12N2O — CID 62100633

IUPAC3-amino-1-benzylpyridin-2-one
SMILESNc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-8H,9,13H2
InChIKeyHYCFCEZTCJXLDP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.48
Rot. Bonds2

About 3-amino-1-benzylpyridin-2-one

3-amino-1-benzylpyridin-2-one (PubChem CID 62100633) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-amino-1-benzylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-benzylpyridin-2-one
PubChem CID62100633
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-amino-1-benzylpyridin-2-one
SMILESNc1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H12N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-8H,9,13H2
InChIKeyHYCFCEZTCJXLDP-UHFFFAOYSA-N
XLogP1.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-benzylpyridin-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-amino-1-benzylpyridin-2-one?
The IUPAC name of 3-amino-1-benzylpyridin-2-one (CID 62100633) is 3-amino-1-benzylpyridin-2-one.
What is the SMILES notation for 3-amino-1-benzylpyridin-2-one?
The canonical SMILES for 3-amino-1-benzylpyridin-2-one is Nc1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-amino-1-benzylpyridin-2-one?
The InChIKey is HYCFCEZTCJXLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-8H,9,13H2.
What are the key properties of 3-amino-1-benzylpyridin-2-one?
3-amino-1-benzylpyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-benzylpyridin-2-one is sourced from PubChem (CID 62100633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).