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

C18H12N4OS — CID 747881

IUPAC2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1
InChIInChI=1S/C18H12N4OS/c19-9-13-16(15-7-4-8-23-15)14(10-20)18(22-17(13)21)24-11-12-5-2-1-3-6-12/h1-8H,11H2,(H2,21,22)
InChIKeyLVWJHQUXRQBOKQ-UHFFFAOYSA-N
MW332.39 g/mol
LogP3.96
Rot. Bonds4

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

2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 747881) has the molecular formula C18H12N4OS and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID747881
Molecular FormulaC18H12N4OS
Molecular Weight332.39 g/mol
Exact Mass332.07
IUPAC Name2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1
InChIInChI=1S/C18H12N4OS/c19-9-13-16(15-7-4-8-23-15)14(10-20)18(22-17(13)21)24-11-12-5-2-1-3-6-12/h1-8H,11H2,(H2,21,22)
InChIKeyLVWJHQUXRQBOKQ-UHFFFAOYSA-N
XLogP3.96
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-benzylsulfanyl-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-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 747881) is 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is LVWJHQUXRQBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4OS/c19-9-13-16(15-7-4-8-23-15)14(10-20)18(22-17(13)21)24-11-12-5-2-1-3-6-12/h1-8H,11H2,(H2,21,22).
What are the key properties of 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 332.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 747881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).