3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one

C11H11N3O — CID 23339828

IUPAC3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one
SMILESCn1cc(-c2ccncc2)cc(N)c1=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-10(12)11(14)15)8-2-4-13-5-3-8/h2-7H,12H2,1H3
InChIKeyKXFHELHAHLKBTH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.03
Rot. Bonds1

About 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one

3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one (PubChem CID 23339828) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one
PubChem CID23339828
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one
SMILESCn1cc(-c2ccncc2)cc(N)c1=O
InChIInChI=1S/C11H11N3O/c1-14-7-9(6-10(12)11(14)15)8-2-4-13-5-3-8/h2-7H,12H2,1H3
InChIKeyKXFHELHAHLKBTH-UHFFFAOYSA-N
XLogP1.03
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-methyl-5-pyridin-4-ylpyridin-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-methyl-5-pyridin-4-ylpyridin-2-one?
The IUPAC name of 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one (CID 23339828) is 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one is Cn1cc(-c2ccncc2)cc(N)c1=O.
What is the InChIKey of 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one?
The InChIKey is KXFHELHAHLKBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-7-9(6-10(12)11(14)15)8-2-4-13-5-3-8/h2-7H,12H2,1H3.
What are the key properties of 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one?
3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 23339828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).