1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one

C27H25NO2 — CID 11058356

IUPAC1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(COCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C27H25NO2/c29-27-26(18-22-10-4-1-5-11-22)25(21-30-20-24-14-8-3-9-15-24)16-17-28(27)19-23-12-6-2-7-13-23/h1-17H,18-21H2
InChIKeySXYMAFCBGNPATF-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.20
Rot. Bonds8

About 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one

1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one (PubChem CID 11058356) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one
PubChem CID11058356
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one
SMILESO=c1c(Cc2ccccc2)c(COCc2ccccc2)ccn1Cc1ccccc1
InChIInChI=1S/C27H25NO2/c29-27-26(18-22-10-4-1-5-11-22)25(21-30-20-24-14-8-3-9-15-24)16-17-28(27)19-23-12-6-2-7-13-23/h1-17H,18-21H2
InChIKeySXYMAFCBGNPATF-UHFFFAOYSA-N
XLogP5.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one?
The IUPAC name of 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one (CID 11058356) is 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one.
What is the SMILES notation for 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one?
The canonical SMILES for 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one is O=c1c(Cc2ccccc2)c(COCc2ccccc2)ccn1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one?
The InChIKey is SXYMAFCBGNPATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c29-27-26(18-22-10-4-1-5-11-22)25(21-30-20-24-14-8-3-9-15-24)16-17-28(27)19-23-12-6-2-7-13-23/h1-17H,18-21H2.
What are the key properties of 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one?
1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one has a molecular weight of 395.50 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one is sourced from PubChem (CID 11058356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).