4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one

C16H20N2O3 — CID 906230

IUPAC4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(CCNc2cc(C)[nH]c(=O)c2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-8-13(10-16(19)18-11)17-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeySFZGIEQYHCWVLL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.36
Rot. Bonds6

About 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one

4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one (PubChem CID 906230) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one
PubChem CID906230
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one
SMILESCOc1ccc(CCNc2cc(C)[nH]c(=O)c2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-8-13(10-16(19)18-11)17-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,18,19)
InChIKeySFZGIEQYHCWVLL-UHFFFAOYSA-N
XLogP2.36
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,4-dimethoxyphenyl)ethylamino]-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 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one (CID 906230) is 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one is COc1ccc(CCNc2cc(C)[nH]c(=O)c2)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one?
The InChIKey is SFZGIEQYHCWVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-8-13(10-16(19)18-11)17-7-6-12-4-5-14(20-2)15(9-12)21-3/h4-5,8-10H,6-7H2,1-3H3,(H2,17,18,19).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one?
4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 906230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).