3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one

C9H14N2O2 — CID 55255763

IUPAC3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one
SMILESCOCc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C9H14N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3H,4-5,10H2,1-2H3,(H,11,12)
InChIKeyAEANTDNERWAHPN-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.29
Rot. Bonds3

About 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one

3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one (PubChem CID 55255763) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one
PubChem CID55255763
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one
SMILESCOCc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C9H14N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3H,4-5,10H2,1-2H3,(H,11,12)
InChIKeyAEANTDNERWAHPN-UHFFFAOYSA-N
XLogP0.29
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-4-(methoxymethyl)-6-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 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one (CID 55255763) is 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one is COCc1cc(C)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is AEANTDNERWAHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3H,4-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one?
3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(methoxymethyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 55255763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).