4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

C19H14N2O — CID 10446702

IUPAC4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H14N2O/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)21-19(22)17(16)12-20/h2-11H,1H3,(H,21,22)
InChIKeyZUGMDNKBCFSSOW-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.89
Rot. Bonds2

About 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile

4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 10446702) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
PubChem CID10446702
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H14N2O/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)21-19(22)17(16)12-20/h2-11H,1H3,(H,21,22)
InChIKeyZUGMDNKBCFSSOW-UHFFFAOYSA-N
XLogP3.89
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile (CID 10446702) is 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is ZUGMDNKBCFSSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-13-7-9-14(10-8-13)16-11-18(15-5-3-2-4-6-15)21-19(22)17(16)12-20/h2-11H,1H3,(H,21,22).
What are the key properties of 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile?
4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 286.33 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 10446702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).