6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

C20H16N2O2 — CID 168585987

IUPAC6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ccccc2-c2cc(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-13-7-9-15(10-8-13)24-19-6-4-3-5-16(19)17-11-14(2)22-20(23)18(17)12-21/h3-11H,1-2H3,(H,22,23)
InChIKeyKRNPNSQXUSTBKE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.32
Rot. Bonds3

About 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile

6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168585987) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168585987
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(Oc2ccccc2-c2cc(C)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C20H16N2O2/c1-13-7-9-15(10-8-13)24-19-6-4-3-5-16(19)17-11-14(2)22-20(23)18(17)12-21/h3-11H,1-2H3,(H,22,23)
InChIKeyKRNPNSQXUSTBKE-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 168585987) is 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(Oc2ccccc2-c2cc(C)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KRNPNSQXUSTBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-13-7-9-15(10-8-13)24-19-6-4-3-5-16(19)17-11-14(2)22-20(23)18(17)12-21/h3-11H,1-2H3,(H,22,23).
What are the key properties of 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile?
6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(4-methylphenoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).