1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one

C31H25NO2 — CID 71469499

IUPAC1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one
SMILESO=c1c(-c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C31H25NO2/c33-31-30(28-18-16-27(17-19-28)26-14-8-3-9-15-26)29(34-23-25-12-6-2-7-13-25)20-21-32(31)22-24-10-4-1-5-11-24/h1-21H,22-23H2
InChIKeyXOEQGJMEMYXMDS-UHFFFAOYSA-N
MW443.55 g/mol
LogP6.81
Rot. Bonds7

About 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one

1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one (PubChem CID 71469499) has the molecular formula C31H25NO2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one
PubChem CID71469499
Molecular FormulaC31H25NO2
Molecular Weight443.55 g/mol
Exact Mass443.19
IUPAC Name1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one
SMILESO=c1c(-c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C31H25NO2/c33-31-30(28-18-16-27(17-19-28)26-14-8-3-9-15-26)29(34-23-25-12-6-2-7-13-25)20-21-32(31)22-24-10-4-1-5-11-24/h1-21H,22-23H2
InChIKeyXOEQGJMEMYXMDS-UHFFFAOYSA-N
XLogP6.81
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)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

Related Compounds

1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731806
1-(4-((ethyl(propyl)amino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487284
4-(4-fluorobenzyloxy)-1-(4-((methyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487309
4-(4-fluorobenzyloxy)-1-(4-(((2-fluoroethyl)(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487356
4-(4-fluorobenzyloxy)-1-(4-(pyrrolidin-1-ylmethyl)phenethyl)pyridin-2(1H)-one
CID 45487372
1-(4-((diethylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487382
1-(4-((dipropylamino)methyl)phenethyl)-4-(4-fluorobenzyloxy)pyridin-2(1H)-one
CID 45487383
4-(4-fluorobenzyloxy)-1-(4-((isobutyl(propyl)amino)methyl)phenethyl)pyridin-2(1H)-one
CID 45487391
1-[2-[4-[(Dimethylamino)methyl]phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 89798658
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one?
The IUPAC name of 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one (CID 71469499) is 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one.
What is the SMILES notation for 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one?
The canonical SMILES for 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one is O=c1c(-c2ccc(-c3ccccc3)cc2)c(OCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one?
The InChIKey is XOEQGJMEMYXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NO2/c33-31-30(28-18-16-27(17-19-28)26-14-8-3-9-15-26)29(34-23-25-12-6-2-7-13-25)20-21-32(31)22-24-10-4-1-5-11-24/h1-21H,22-23H2.
What are the key properties of 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one?
1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one has a molecular weight of 443.55 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylmethoxy-3-(4-phenylphenyl)pyridin-2-one is sourced from PubChem (CID 71469499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).