3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one

C17H22N2O2 — CID 82189637

IUPAC3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1
InChIInChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3
InChIKeyRTJHBFBVHRJECQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.89
Rot. Bonds4

About 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one

3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one (PubChem CID 82189637) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
PubChem CID82189637
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one
SMILESCc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1
InChIInChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3
InChIKeyRTJHBFBVHRJECQ-UHFFFAOYSA-N
XLogP1.89
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-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-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one (CID 82189637) is 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one is Cc1ccc(C)c(-c2cc(C)c(CN)c(=O)n2CCO)c1.
What is the InChIKey of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
The InChIKey is RTJHBFBVHRJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-4-5-12(2)14(8-11)16-9-13(3)15(10-18)17(21)19(16)6-7-20/h4-5,8-9,20H,6-7,10,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one?
3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(2,5-dimethylphenyl)-1-(2-hydroxyethyl)-4-methylpyridin-2-one is sourced from PubChem (CID 82189637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).