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

C15H14N2O2 — CID 131850992

IUPAC6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H14N2O2/c1-3-11-8-13(14(9-16)15(18)17-11)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeySUWGEOWVIWJIEE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.48
Rot. Bonds3

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

6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 131850992) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID131850992
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C15H14N2O2/c1-3-11-8-13(14(9-16)15(18)17-11)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeySUWGEOWVIWJIEE-UHFFFAOYSA-N
XLogP2.48
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 131850992) is 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is CCc1cc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is SUWGEOWVIWJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-11-8-13(14(9-16)15(18)17-11)10-4-6-12(19-2)7-5-10/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 131850992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).