2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile

C17H14N4O2S — CID 2998839

IUPAC2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1
InChIInChI=1S/C17H14N4O2S/c18-8-10-15(13-5-3-7-23-13)11(9-19)17(21-16(10)20)24-14-6-2-1-4-12(14)22/h3,5,7,14H,1-2,4,6H2,(H2,20,21)
InChIKeyLZYKIDFTMVRJCK-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 2998839) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID2998839
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1
InChIInChI=1S/C17H14N4O2S/c18-8-10-15(13-5-3-7-23-13)11(9-19)17(21-16(10)20)24-14-6-2-1-4-12(14)22/h3,5,7,14H,1-2,4,6H2,(H2,20,21)
InChIKeyLZYKIDFTMVRJCK-UHFFFAOYSA-N
XLogP3.27
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile (CID 2998839) is 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is LZYKIDFTMVRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c18-8-10-15(13-5-3-7-23-13)11(9-19)17(21-16(10)20)24-14-6-2-1-4-12(14)22/h3,5,7,14H,1-2,4,6H2,(H2,20,21).
What are the key properties of 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 338.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2998839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).