6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile

C15H14N2O2 — CID 82120107

IUPAC6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(C)cc1-c1[nH]c(=O)c(C#N)cc1C
InChIInChI=1S/C15H14N2O2/c1-9-4-5-13(19-3)12(6-9)14-10(2)7-11(8-16)15(18)17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyZPIMGDANNXJEDM-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.54
Rot. Bonds2

About 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile

6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82120107) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82120107
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(C)cc1-c1[nH]c(=O)c(C#N)cc1C
InChIInChI=1S/C15H14N2O2/c1-9-4-5-13(19-3)12(6-9)14-10(2)7-11(8-16)15(18)17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyZPIMGDANNXJEDM-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

1-(2-methoxy-5-methylphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79875390
5-methyl-2-oxo-6-(4-propan-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 82119661
6-(2-methoxy-5-methylphenyl)-2-methylpyridine-3-carbonitrile
CID 82453336
ethane;6-(4-methylphenyl)-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 142818982
2-(2-methoxy-4-methylphenyl)benzonitrile
CID 19389898
1-(5-bromo-2-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79874877
3-(2-methoxy-5-methylphenyl)benzonitrile
CID 39245698
8-methoxy-2-oxo-1,5-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 79374586
1-(2,5-dimethoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79875212
2-[6-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyridin-3-yl]acetic acid
CID 82517496
6-methoxy-2-oxo-5-phenyl-1H-pyridine-3-carbonitrile
CID 13101635
3-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)-4-methoxybenzonitrile
CID 106951711

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 82120107) is 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile is COc1ccc(C)cc1-c1[nH]c(=O)c(C#N)cc1C.
What is the InChIKey of 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZPIMGDANNXJEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-9-4-5-13(19-3)12(6-9)14-10(2)7-11(8-16)15(18)17-14/h4-7H,1-3H3,(H,17,18).
What are the key properties of 6-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
6-(2-methoxy-5-methylphenyl)-5-methyl-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-(2-methoxy-5-methylphenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82120107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).