1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

C15H14N2O2 — CID 82120079

IUPAC1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1ccc(-c2cccc(OC)c2)c(C#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-3-17-8-7-13(14(10-16)15(17)18)11-5-4-6-12(9-11)19-2/h4-9H,3H2,1-2H3
InChIKeyVSVPUSOMTKYQMN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.42
Rot. Bonds3

About 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile

1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82120079) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82120079
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1ccc(-c2cccc(OC)c2)c(C#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-3-17-8-7-13(14(10-16)15(17)18)11-5-4-6-12(9-11)19-2/h4-9H,3H2,1-2H3
InChIKeyVSVPUSOMTKYQMN-UHFFFAOYSA-N
XLogP2.42
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
2-hydroxy-4-(3-methoxyphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 116862214
ethyl 1-butyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carboxylate
CID 70178605
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 75430569
1-ethyl-3-[(3-methoxyphenyl)methyl]imidazol-2-one
CID 116624332
4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 82118171
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
1-ethyl-5-(3-methoxyphenyl)triazole-4-carbonitrile
CID 82207275
3-amino-1-ethyl-4-(4-methoxyphenyl)pyridin-2-one
CID 139946733

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile (CID 82120079) is 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is CCn1ccc(-c2cccc(OC)c2)c(C#N)c1=O.
What is the InChIKey of 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is VSVPUSOMTKYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-17-8-7-13(14(10-16)15(17)18)11-5-4-6-12(9-11)19-2/h4-9H,3H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82120079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).