6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C15H14N2O2 — CID 82120081

IUPAC6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2[nH]c(=O)c(C#N)c(C)c2C)cc1
InChIInChI=1S/C15H14N2O2/c1-9-10(2)14(17-15(18)13(9)8-16)11-4-6-12(19-3)7-5-11/h4-7H,1-3H3,(H,17,18)
InChIKeyZDTQUQUHHJGOQX-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds2

About 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82120081) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82120081
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2[nH]c(=O)c(C#N)c(C)c2C)cc1
InChIInChI=1S/C15H14N2O2/c1-9-10(2)14(17-15(18)13(9)8-16)11-4-6-12(19-3)7-5-11/h4-7H,1-3H3,(H,17,18)
InChIKeyZDTQUQUHHJGOQX-UHFFFAOYSA-N
XLogP2.54
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-6-methyl-2-oxo-5-propan-2-yl-1H-pyridine-3-carbonitrile
CID 23828687
6-(furan-2-yl)-5-iodo-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139755848
4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 2825970
5-(4-methoxyphenyl)-4-methyl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930371
4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585110
5-[(2,4-dimethoxyphenyl)diazenyl]-4-methyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 136677012
4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135483264
2-amino-4-[3-(4-methoxyphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393882
6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656714
2-(4-methoxyanilino)-4-(4-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135491607
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
4-(4-methoxyphenyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonitrile
CID 11493199

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 82120081) is 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2[nH]c(=O)c(C#N)c(C)c2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZDTQUQUHHJGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-10(2)14(17-15(18)13(9)8-16)11-4-6-12(19-3)7-5-11/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4,5-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82120081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).