3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

C23H18N2O — CID 22319153

IUPAC3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESCc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H18N2O/c1-17-9-5-6-12-20(17)21-15-18(22-13-7-8-14-24-22)16-25(23(21)26)19-10-3-2-4-11-19/h2-16H,1H3
InChIKeyDZHLAHOIYQLAQU-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.87
Rot. Bonds3

About 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (PubChem CID 22319153) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
PubChem CID22319153
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one
SMILESCc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChIInChI=1S/C23H18N2O/c1-17-9-5-6-12-20(17)21-15-18(22-13-7-8-14-24-22)16-25(23(21)26)19-10-3-2-4-11-19/h2-16H,1H3
InChIKeyDZHLAHOIYQLAQU-UHFFFAOYSA-N
XLogP4.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The IUPAC name of 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one (CID 22319153) is 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The canonical SMILES for 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.
What is the InChIKey of 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
The InChIKey is DZHLAHOIYQLAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-17-9-5-6-12-20(17)21-15-18(22-13-7-8-14-24-22)16-25(23(21)26)19-10-3-2-4-11-19/h2-16H,1H3.
What are the key properties of 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one?
3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one is sourced from PubChem (CID 22319153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).