2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

C13H7N5OS — CID 155514153

IUPAC2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H7N5OS/c14-3-5-20-13-9(7-16)11(10-2-1-4-19-10)8(6-15)12(17)18-13/h1-2,4H,5H2,(H2,17,18)
InChIKeyLIYUZQVCQBZKJF-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.28
Rot. Bonds3

About 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 155514153) has the molecular formula C13H7N5OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID155514153
Molecular FormulaC13H7N5OS
Molecular Weight281.30 g/mol
Exact Mass281.04
IUPAC Name2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H7N5OS/c14-3-5-20-13-9(7-16)11(10-2-1-4-19-10)8(6-15)12(17)18-13/h1-2,4H,5H2,(H2,17,18)
InChIKeyLIYUZQVCQBZKJF-UHFFFAOYSA-N
XLogP2.28
TPSA123.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile 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 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 155514153) is 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is N#CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N.
What is the InChIKey of 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is LIYUZQVCQBZKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5OS/c14-3-5-20-13-9(7-16)11(10-2-1-4-19-10)8(6-15)12(17)18-13/h1-2,4H,5H2,(H2,17,18).
What are the key properties of 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 281.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155514153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).