2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile

C15H15N5S — CID 3237836

IUPAC2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
SMILESN#CCSc1nc(N)c(C#N)c(C2CCCCC2)c1C#N
InChIInChI=1S/C15H15N5S/c16-6-7-21-15-12(9-18)13(10-4-2-1-3-5-10)11(8-17)14(19)20-15/h10H,1-5,7H2,(H2,19,20)
InChIKeyFZLVVKJYXRJMRX-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.07
Rot. Bonds3

About 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile

2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile (PubChem CID 3237836) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
PubChem CID3237836
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
SMILESN#CCSc1nc(N)c(C#N)c(C2CCCCC2)c1C#N
InChIInChI=1S/C15H15N5S/c16-6-7-21-15-12(9-18)13(10-4-2-1-3-5-10)11(8-17)14(19)20-15/h10H,1-5,7H2,(H2,19,20)
InChIKeyFZLVVKJYXRJMRX-UHFFFAOYSA-N
XLogP3.07
TPSA110.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
CID 659287
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
Methyl {[6-amino-3,5-dicyano-4-(propan-2-yl)pyridin-2-yl]sulfanyl}acetate
CID 658599
2-Amino-6-(propylthio)-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660788
2-Amino-6-(butylsulfanyl)-4-(2-thienyl)-3,5-pyridinedicarbonitrile
CID 660914
3-Ethylsulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 708947
2-Amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridine-3,5-dicarbonitrile
CID 892465
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
2-Amino-6-[(3-methylbutyl)thio]-3,5-pyridinedicarbonitrile
CID 2214529
2-Amino-4-(3-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11186097

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile (CID 3237836) is 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile is N#CCSc1nc(N)c(C#N)c(C2CCCCC2)c1C#N.
What is the InChIKey of 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile?
The InChIKey is FZLVVKJYXRJMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c16-6-7-21-15-12(9-18)13(10-4-2-1-3-5-10)11(8-17)14(19)20-15/h10H,1-5,7H2,(H2,19,20).
What are the key properties of 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile?
2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile has a molecular weight of 297.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 3237836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).