6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile

C15H14N2OS — CID 694333

IUPAC6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile
SMILESCCSc1nc(C2CC2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C15H14N2OS/c1-2-19-15-12(9-16)11(14-4-3-7-18-14)8-13(17-15)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyXOPSNCJTERRGQF-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.20
Rot. Bonds4

About 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile

6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 694333) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID694333
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile
SMILESCCSc1nc(C2CC2)cc(-c2ccco2)c1C#N
InChIInChI=1S/C15H14N2OS/c1-2-19-15-12(9-16)11(14-4-3-7-18-14)8-13(17-15)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3
InChIKeyXOPSNCJTERRGQF-UHFFFAOYSA-N
XLogP4.20
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)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 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile (CID 694333) is 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile is CCSc1nc(C2CC2)cc(-c2ccco2)c1C#N.
What is the InChIKey of 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is XOPSNCJTERRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-19-15-12(9-16)11(14-4-3-7-18-14)8-13(17-15)10-5-6-10/h3-4,7-8,10H,2,5-6H2,1H3.
What are the key properties of 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile?
6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-ethylsulfanyl-4-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 694333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).