5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile

C16H16N2O2 — CID 116864702

IUPAC5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile
SMILESCOc1cnc(-c2c(C)cc(C)cc2OC)cc1C#N
InChIInChI=1S/C16H16N2O2/c1-10-5-11(2)16(14(6-10)19-3)13-7-12(8-17)15(20-4)9-18-13/h5-7,9H,1-4H3
InChIKeyCKUBOAPXTGCXPQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.25
Rot. Bonds3

About 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile

5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile (PubChem CID 116864702) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile
PubChem CID116864702
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile
SMILESCOc1cnc(-c2c(C)cc(C)cc2OC)cc1C#N
InChIInChI=1S/C16H16N2O2/c1-10-5-11(2)16(14(6-10)19-3)13-7-12(8-17)15(20-4)9-18-13/h5-7,9H,1-4H3
InChIKeyCKUBOAPXTGCXPQ-UHFFFAOYSA-N
XLogP3.25
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methoxy-4,6-dimethylphenyl)-N-methylpyrimidin-4-amine
CID 82478111
2-methoxy-4,6-dimethylbenzonitrile
CID 50883188
2-(2,3-dihydro-1H-inden-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864667
5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858674
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
3-methoxy-5-methyl-2-sulfanylbenzonitrile
CID 171027051
2-(1,3-benzodioxol-5-yl)-5-methoxypyridine-4-carbonitrile
CID 116864671
6-(2-methoxy-4,6-dimethylphenyl)-2-methylpyrimidin-4-amine
CID 82478108
2-bromo-4-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazole
CID 116968062
2-[5-(2-methoxy-4,6-dimethylphenyl)-1H-imidazol-2-yl]butanenitrile
CID 116883164
ethane;4-methoxy-6-methylpyridine-3-carbonitrile
CID 145106388
4-(2-methoxy-4,6-dimethylphenyl)pyrimidine-2-carbaldehyde
CID 116900259

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile?
The IUPAC name of 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile (CID 116864702) is 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile is COc1cnc(-c2c(C)cc(C)cc2OC)cc1C#N.
What is the InChIKey of 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile?
The InChIKey is CKUBOAPXTGCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-5-11(2)16(14(6-10)19-3)13-7-12(8-17)15(20-4)9-18-13/h5-7,9H,1-4H3.
What are the key properties of 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile?
5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile has a molecular weight of 268.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxy-4,6-dimethylphenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 116864702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).