1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one

C25H21NO2 — CID 71469447

IUPAC1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one
SMILESO=c1c(-c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C25H21NO2/c27-25-24(22-14-8-3-9-15-22)23(28-19-21-12-6-2-7-13-21)16-17-26(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2
InChIKeyNLNMKPFVRHMEKH-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.14
Rot. Bonds6

About 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one

1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one (PubChem CID 71469447) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one
PubChem CID71469447
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one
SMILESO=c1c(-c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C25H21NO2/c27-25-24(22-14-8-3-9-15-22)23(28-19-21-12-6-2-7-13-21)16-17-26(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2
InChIKeyNLNMKPFVRHMEKH-UHFFFAOYSA-N
XLogP5.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(benzyloxy)-3-bromopyridin-2(1H)-one
CID 10126288
1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731806
1-benzyl-4-(benzyloxy)-3-chloropyridin-2(1H)-one
CID 10236731
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one (CID 71469447) is 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one is O=c1c(-c2ccccc2)c(OCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one?
The InChIKey is NLNMKPFVRHMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c27-25-24(22-14-8-3-9-15-22)23(28-19-21-12-6-2-7-13-21)16-17-26(25)18-20-10-4-1-5-11-20/h1-17H,18-19H2.
What are the key properties of 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one?
1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one has a molecular weight of 367.45 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 71469447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).