3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one

C17H22N2O2 — CID 82189704

IUPAC3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
SMILESCCOc1ccc(-c2cc(C)c(CN)c(=O)n2CC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-19-16(10-12(3)15(11-18)17(19)20)13-6-8-14(9-7-13)21-5-2/h6-10H,4-5,11,18H2,1-3H3
InChIKeyWPXVQQTZUYBOFN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.70
Rot. Bonds5

About 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one

3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one (PubChem CID 82189704) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
PubChem CID82189704
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
SMILESCCOc1ccc(-c2cc(C)c(CN)c(=O)n2CC)cc1
InChIInChI=1S/C17H22N2O2/c1-4-19-16(10-12(3)15(11-18)17(19)20)13-6-8-14(9-7-13)21-5-2/h6-10H,4-5,11,18H2,1-3H3
InChIKeyWPXVQQTZUYBOFN-UHFFFAOYSA-N
XLogP2.70
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-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

Related Compounds

3-(aminomethyl)-1-(2-hydroxyethyl)-6-(4-methoxyphenyl)-4-methylpyridin-2-one
CID 82189699
3-(aminomethyl)-1-butyl-4-methyl-6-(4-methylphenyl)pyridin-2-one
CID 82189589
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-methylpyridin-2-one
CID 82189625
5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
3-(2-aminopropan-2-yl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517946
3-amino-6-(3-ethoxyphenyl)-1-ethylpyridin-2-one
CID 82467041
3-amino-6-(4-ethoxyphenyl)-1-(2-methylpropyl)pyridin-2-one
CID 82467100
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
[2-(4-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61175556

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one (CID 82189704) is 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one is CCOc1ccc(-c2cc(C)c(CN)c(=O)n2CC)cc1.
What is the InChIKey of 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one?
The InChIKey is WPXVQQTZUYBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-19-16(10-12(3)15(11-18)17(19)20)13-6-8-14(9-7-13)21-5-2/h6-10H,4-5,11,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one?
3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one is sourced from PubChem (CID 82189704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).