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

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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).