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

C18H14N2O2S — CID 44817525

IUPAC4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccsc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C18H14N2O2S/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)20-18(21)16(15)10-19/h3-9,11H,2H2,1H3,(H,20,21)
InChIKeyUBXKWBSCLURTHA-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.04
Rot. Bonds4

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

4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile (PubChem CID 44817525) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile
PubChem CID44817525
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile
SMILESCCOc1ccc(-c2cc(-c3ccsc3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C18H14N2O2S/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)20-18(21)16(15)10-19/h3-9,11H,2H2,1H3,(H,20,21)
InChIKeyUBXKWBSCLURTHA-UHFFFAOYSA-N
XLogP4.04
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-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-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile (CID 44817525) is 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile is CCOc1ccc(-c2cc(-c3ccsc3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile?
The InChIKey is UBXKWBSCLURTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-2-22-14-5-3-12(4-6-14)15-9-17(13-7-8-23-11-13)20-18(21)16(15)10-19/h3-9,11H,2H2,1H3,(H,20,21).
What are the key properties of 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile?
4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile has a molecular weight of 322.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-2-oxo-6-thiophen-3-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 44817525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).