1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one

C26H23NO3 — CID 71469500

IUPAC1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one
SMILESCOc1ccc(-c2c(OCc3ccccc3)ccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H23NO3/c1-29-23-14-12-22(13-15-23)25-24(30-19-21-10-6-3-7-11-21)16-17-27(26(25)28)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3
InChIKeyFNHAJWIYLKIHHG-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.15
Rot. Bonds7

About 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one

1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one (PubChem CID 71469500) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one
PubChem CID71469500
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one
SMILESCOc1ccc(-c2c(OCc3ccccc3)ccn(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C26H23NO3/c1-29-23-14-12-22(13-15-23)25-24(30-19-21-10-6-3-7-11-21)16-17-27(26(25)28)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3
InChIKeyFNHAJWIYLKIHHG-UHFFFAOYSA-N
XLogP5.15
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-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-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one (CID 71469500) is 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one is COc1ccc(-c2c(OCc3ccccc3)ccn(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one?
The InChIKey is FNHAJWIYLKIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-23-14-12-22(13-15-23)25-24(30-19-21-10-6-3-7-11-21)16-17-27(26(25)28)18-20-8-4-2-5-9-20/h2-17H,18-19H2,1H3.
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one?
1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one has a molecular weight of 397.47 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71469500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).