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

C16H14N4S — CID 745538

IUPAC2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N
InChIInChI=1S/C16H14N4S/c1-2-12-13(8-17)15(19)20-16(14(12)9-18)21-10-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,19,20)
InChIKeyPGUDRZIFZXFYHC-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.26
Rot. Bonds4

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

2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile (PubChem CID 745538) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
PubChem CID745538
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile
SMILESCCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N
InChIInChI=1S/C16H14N4S/c1-2-12-13(8-17)15(19)20-16(14(12)9-18)21-10-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,19,20)
InChIKeyPGUDRZIFZXFYHC-UHFFFAOYSA-N
XLogP3.26
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-benzylsulfanyl-4-ethylpyridine-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-ethylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile (CID 745538) is 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile is CCc1c(C#N)c(N)nc(SCc2ccccc2)c1C#N.
What is the InChIKey of 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile?
The InChIKey is PGUDRZIFZXFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-2-12-13(8-17)15(19)20-16(14(12)9-18)21-10-11-6-4-3-5-7-11/h3-7H,2,10H2,1H3,(H2,19,20).
What are the key properties of 2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile?
2-amino-6-benzylsulfanyl-4-ethylpyridine-3,5-dicarbonitrile has a molecular weight of 294.38 g/mol, XLogP of 3.26, 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-ethylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 745538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).