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

C14H12N2O2 — CID 4049187

IUPAC6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C14H12N2O2/c1-9-7-13(16-14(17)12(9)8-15)10-3-5-11(18-2)6-4-10/h3-7H,1-2H3,(H,16,17)
InChIKeyLZUPLFIPQUHCPT-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.23
Rot. Bonds2

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

6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 4049187) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID4049187
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(C)c(C#N)c(=O)[nH]2)cc1
InChIInChI=1S/C14H12N2O2/c1-9-7-13(16-14(17)12(9)8-15)10-3-5-11(18-2)6-4-10/h3-7H,1-2H3,(H,16,17)
InChIKeyLZUPLFIPQUHCPT-UHFFFAOYSA-N
XLogP2.23
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dihydro-6-(4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-3-pyridinecarbonitrile
CID 948702
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
6-(4-Methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2768366
2(1H)-Pyridinone, 5-ethyl-3-(((4-methoxyphenyl)methyl)amino)-6-methyl-
CID 454363
(E)-N-benzyl-2-cyano-3-(4-methoxyphenyl)prop-2-enamide
CID 729017
4-Hydroxy-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135501757
6-(3-Methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 2767147
6-hydroxy-2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 23625830
7-(4-Methoxyphenyl)-1-methyl-2,3,4,6-tetrahydro-1,6-naphthyridin-5-one
CID 76280732
6-(4-methoxyphenyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
CID 883504
6-(3-Bromo-4-methoxyphenyl)-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 25190448
6-(4-Methoxyphenyl)-4-oxo-9-oxa-3-azatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),2(7),5,11,13-pentaene-5-carbonitrile
CID 848933

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 4049187) is 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(C)c(C#N)c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LZUPLFIPQUHCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-9-7-13(16-14(17)12(9)8-15)10-3-5-11(18-2)6-4-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.23, 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-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 4049187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).