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

C17H12N2O2S — CID 7342915

IUPAC4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H12N2O2S/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20)
InChIKeyCLROQEXHVBQCSJ-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.65
Rot. Bonds3

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

4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (PubChem CID 7342915) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
PubChem CID7342915
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C17H12N2O2S/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20)
InChIKeyCLROQEXHVBQCSJ-UHFFFAOYSA-N
XLogP3.65
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-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 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile (CID 7342915) is 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3cccs3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
The InChIKey is CLROQEXHVBQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c1-21-12-6-4-11(5-7-12)13-9-15(16-3-2-8-22-16)19-17(20)14(13)10-18/h2-9H,1H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile has a molecular weight of 308.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 7342915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).