6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one

C23H18N2O — CID 18767882

IUPAC6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H18N2O/c1-16-7-9-18(10-8-16)21-15-20(17-11-13-24-14-12-17)22(23(26)25-21)19-5-3-2-4-6-19/h2-15H,1H3,(H,25,26)
InChIKeyXOIAVFOAVSBNPC-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.08
Rot. Bonds3

About 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one

6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 18767882) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
PubChem CID18767882
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
SMILESCc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C23H18N2O/c1-16-7-9-18(10-8-16)21-15-20(17-11-13-24-14-12-17)22(23(26)25-21)19-5-3-2-4-6-19/h2-15H,1H3,(H,25,26)
InChIKeyXOIAVFOAVSBNPC-UHFFFAOYSA-N
XLogP5.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one (CID 18767882) is 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one is Cc1ccc(-c2cc(-c3ccncc3)c(-c3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is XOIAVFOAVSBNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-16-7-9-18(10-8-16)21-15-20(17-11-13-24-14-12-17)22(23(26)25-21)19-5-3-2-4-6-19/h2-15H,1H3,(H,25,26).
What are the key properties of 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one?
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 18767882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).