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

C20H16N2O2 — CID 2825970

IUPAC4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-13-3-5-15(6-4-13)19-11-17(18(12-21)20(23)22-19)14-7-9-16(24-2)10-8-14/h3-11H,1-2H3,(H,22,23)
InChIKeyURVLZEVKTUVEDM-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.90
Rot. Bonds3

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

4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 2825970) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID2825970
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-13-3-5-15(6-4-13)19-11-17(18(12-21)20(23)22-19)14-7-9-16(24-2)10-8-14/h3-11H,1-2H3,(H,22,23)
InChIKeyURVLZEVKTUVEDM-UHFFFAOYSA-N
XLogP3.90
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 2825970) is 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(C)cc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is URVLZEVKTUVEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-3-5-15(6-4-13)19-11-17(18(12-21)20(23)22-19)14-7-9-16(24-2)10-8-14/h3-11H,1-2H3,(H,22,23).
What are the key properties of 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2825970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).