5-amino-3-methyl-1H-pyridin-2-one

C6H8N2O — CID 62475744

IUPAC5-amino-3-methyl-1H-pyridin-2-one
SMILESCc1cc(N)c[nH]c1=O
InChIInChI=1S/C6H8N2O/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9)
InChIKeyYPTFRBRYRPFHOJ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.27
Rot. Bonds

About 5-amino-3-methyl-1H-pyridin-2-one

5-amino-3-methyl-1H-pyridin-2-one (PubChem CID 62475744) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-amino-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-methyl-1H-pyridin-2-one
PubChem CID62475744
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-amino-3-methyl-1H-pyridin-2-one
SMILESCc1cc(N)c[nH]c1=O
InChIInChI=1S/C6H8N2O/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9)
InChIKeyYPTFRBRYRPFHOJ-UHFFFAOYSA-N
XLogP0.27
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-3-methyl-1H-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 5-amino-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-methyl-1H-pyridin-2-one (CID 62475744) is 5-amino-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-methyl-1H-pyridin-2-one is Cc1cc(N)c[nH]c1=O.
What is the InChIKey of 5-amino-3-methyl-1H-pyridin-2-one?
The InChIKey is YPTFRBRYRPFHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-2-5(7)3-8-6(4)9/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 5-amino-3-methyl-1H-pyridin-2-one?
5-amino-3-methyl-1H-pyridin-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 62475744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).