6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

C21H21NO5 — CID 71699325

IUPAC6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H21NO5/c1-24-16-10-8-14(9-11-16)17-6-5-7-20(23)22(17)15-12-18(25-2)21(27-4)19(13-15)26-3/h5-13H,1-4H3
InChIKeyHRJHGGVDYWORLR-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.54
Rot. Bonds6

About 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one

6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (PubChem CID 71699325) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
PubChem CID71699325
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C21H21NO5/c1-24-16-10-8-14(9-11-16)17-6-5-7-20(23)22(17)15-12-18(25-2)21(27-4)19(13-15)26-3/h5-13H,1-4H3
InChIKeyHRJHGGVDYWORLR-UHFFFAOYSA-N
XLogP3.54
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)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 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one (CID 71699325) is 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is COc1ccc(-c2cccc(=O)n2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
The InChIKey is HRJHGGVDYWORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-24-16-10-8-14(9-11-16)17-6-5-7-20(23)22(17)15-12-18(25-2)21(27-4)19(13-15)26-3/h5-13H,1-4H3.
What are the key properties of 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one?
6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one has a molecular weight of 367.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 71699325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).