1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one

C21H21NO3 — CID 58016642

IUPAC1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
SMILESCCOc1ccc(-n2cc(-c3ccc(OC)cc3)ccc2=O)c(C)c1
InChIInChI=1S/C21H21NO3/c1-4-25-19-10-11-20(15(2)13-19)22-14-17(7-12-21(22)23)16-5-8-18(24-3)9-6-16/h5-14H,4H2,1-3H3
InChIKeyWFYYAKPPRYHIKL-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.22
Rot. Bonds5

About 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one

1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one (PubChem CID 58016642) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
PubChem CID58016642
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
SMILESCCOc1ccc(-n2cc(-c3ccc(OC)cc3)ccc2=O)c(C)c1
InChIInChI=1S/C21H21NO3/c1-4-25-19-10-11-20(15(2)13-19)22-14-17(7-12-21(22)23)16-5-8-18(24-3)9-6-16/h5-14H,4H2,1-3H3
InChIKeyWFYYAKPPRYHIKL-UHFFFAOYSA-N
XLogP4.22
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)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 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one (CID 58016642) is 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one is CCOc1ccc(-n2cc(-c3ccc(OC)cc3)ccc2=O)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is WFYYAKPPRYHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-4-25-19-10-11-20(15(2)13-19)22-14-17(7-12-21(22)23)16-5-8-18(24-3)9-6-16/h5-14H,4H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one?
1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 335.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 58016642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).