2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

C13H10N4OS — CID 745534

IUPAC2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESCCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H10N4OS/c1-2-19-13-9(7-15)11(10-4-3-5-18-10)8(6-14)12(16)17-13/h3-5H,2H2,1H3,(H2,16,17)
InChIKeyGOUYQPFXXZWOTN-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 745534) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID745534
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESCCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N
InChIInChI=1S/C13H10N4OS/c1-2-19-13-9(7-15)11(10-4-3-5-18-10)8(6-14)12(16)17-13/h3-5H,2H2,1H3,(H2,16,17)
InChIKeyGOUYQPFXXZWOTN-UHFFFAOYSA-N
XLogP2.78
TPSA99.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanylmethyl]benzoate
CID 139030524
2-Amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 155554464
2-Amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 571407
2-Amino-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile
CID 659053
2-Amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
CID 748950
2-amino-4-(2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-Amino-5-butyl-4-(furan-2-yl)-6-pentylpyridine-3-carbonitrile
CID 1897510
Methyl {[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl}acetate
CID 1898787
2-Amino-4-(furan-2-yl)-6-(2-methylpropyl)pyridine-3-carbonitrile
CID 711446
2-Amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 747881
2-Amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 1067653
2-((6-Amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)thio)acetamide
CID 1899510

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 745534) is 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is CCSc1nc(N)c(C#N)c(-c2ccco2)c1C#N.
What is the InChIKey of 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is GOUYQPFXXZWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-2-19-13-9(7-15)11(10-4-3-5-18-10)8(6-14)12(16)17-13/h3-5H,2H2,1H3,(H2,16,17).
What are the key properties of 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 270.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 745534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).