3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one

C16H20N2O2 — CID 82189332

IUPAC3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2CCO)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-11-3-5-14(12(2)9-11)15-6-4-13(10-17)16(20)18(15)7-8-19/h3-6,9,19H,7-8,10,17H2,1-2H3
InChIKeyDQAIORQVDKBUQG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.58
Rot. Bonds4

About 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one

3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one (PubChem CID 82189332) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
PubChem CID82189332
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
SMILESCc1ccc(-c2ccc(CN)c(=O)n2CCO)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-11-3-5-14(12(2)9-11)15-6-4-13(10-17)16(20)18(15)7-8-19/h3-6,9,19H,7-8,10,17H2,1-2H3
InChIKeyDQAIORQVDKBUQG-UHFFFAOYSA-N
XLogP1.58
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)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)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one (CID 82189332) is 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one is Cc1ccc(-c2ccc(CN)c(=O)n2CCO)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one?
The InChIKey is DQAIORQVDKBUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-3-5-14(12(2)9-11)15-6-4-13(10-17)16(20)18(15)7-8-19/h3-6,9,19H,7-8,10,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one?
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 82189332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).