2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile

C20H20N4S — CID 564048

IUPAC2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1C1CCCCC1
InChIInChI=1S/C20H20N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,23,24)
InChIKeyFIEPIIXZVPVKOB-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.75
Rot. Bonds4

About 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile

2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile (PubChem CID 564048) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
PubChem CID564048
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1C1CCCCC1
InChIInChI=1S/C20H20N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,23,24)
InChIKeyFIEPIIXZVPVKOB-UHFFFAOYSA-N
XLogP4.75
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-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-cyclohexylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile (CID 564048) is 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1C1CCCCC1.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile?
The InChIKey is FIEPIIXZVPVKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,23,24).
What are the key properties of 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile has a molecular weight of 348.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-benzylsulfanyl-4-cyclohexylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 564048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).