5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile

C16H14N2O3 — CID 1471701

IUPAC5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccccc1Oc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C16H14N2O3/c1-10-13(11(2)19)8-12(9-17)16(18-10)21-15-7-5-4-6-14(15)20-3/h4-8H,1-3H3
InChIKeyLSGZCNRFDORMEA-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.27
Rot. Bonds4

About 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile

5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 1471701) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile
PubChem CID1471701
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile
SMILESCOc1ccccc1Oc1nc(C)c(C(C)=O)cc1C#N
InChIInChI=1S/C16H14N2O3/c1-10-13(11(2)19)8-12(9-17)16(18-10)21-15-7-5-4-6-14(15)20-3/h4-8H,1-3H3
InChIKeyLSGZCNRFDORMEA-UHFFFAOYSA-N
XLogP3.27
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile (CID 1471701) is 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile is COc1ccccc1Oc1nc(C)c(C(C)=O)cc1C#N.
What is the InChIKey of 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is LSGZCNRFDORMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10-13(11(2)19)8-12(9-17)16(18-10)21-15-7-5-4-6-14(15)20-3/h4-8H,1-3H3.
What are the key properties of 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile?
5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2-methoxyphenoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 1471701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).