2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile

C17H16N4S — CID 660788

IUPAC2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H16N4S/c1-3-8-22-17-14(10-19)15(13(9-18)16(20)21-17)12-6-4-11(2)5-7-12/h4-7H,3,8H2,1-2H3,(H2,20,21)
InChIKeyNPCGKBYLYYCRLP-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 660788) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID660788
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
InChIInChI=1S/C17H16N4S/c1-3-8-22-17-14(10-19)15(13(9-18)16(20)21-17)12-6-4-11(2)5-7-12/h4-7H,3,8H2,1-2H3,(H2,20,21)
InChIKeyNPCGKBYLYYCRLP-UHFFFAOYSA-N
XLogP3.88
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-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

Related Compounds

(R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233666
2-Amino-4-(4-chlorophenyl)-6-(methylthio)pyridine-3,5-dicarbonitrile
CID 661167
(Rac)-GSK-3484862
CID 132233424
2-Amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
CID 659287
2-Amino-6-[(3-methylbenzyl)sulfanyl]-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 1201836
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-trifluoromethyl-phenyl)-pyridine-3,5-dicarbonitrile
CID 11268516
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-4-(4-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11392863
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-Amino-4-(2-chlorophenyl)-6-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CID 659242
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile (CID 660788) is 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile is CCCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N.
What is the InChIKey of 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is NPCGKBYLYYCRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-3-8-22-17-14(10-19)15(13(9-18)16(20)21-17)12-6-4-11(2)5-7-12/h4-7H,3,8H2,1-2H3,(H2,20,21).
What are the key properties of 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 308.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylphenyl)-6-propylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 660788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).