2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

C20H16N4O2S — CID 28622191

IUPAC2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccco3)c2C#N)cc1
InChIInChI=1S/C20H16N4O2S/c1-2-25-14-7-5-13(6-8-14)18-16(10-21)19(23)24-20(17(18)11-22)27-12-15-4-3-9-26-15/h3-9H,2,12H2,1H3,(H2,23,24)
InChIKeyGUDJBLPOFJOYAJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.36
Rot. Bonds6

About 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 28622191) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID28622191
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccco3)c2C#N)cc1
InChIInChI=1S/C20H16N4O2S/c1-2-25-14-7-5-13(6-8-14)18-16(10-21)19(23)24-20(17(18)11-22)27-12-15-4-3-9-26-15/h3-9H,2,12H2,1H3,(H2,23,24)
InChIKeyGUDJBLPOFJOYAJ-UHFFFAOYSA-N
XLogP4.36
TPSA108.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile (CID 28622191) is 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is CCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccco3)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is GUDJBLPOFJOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-2-25-14-7-5-13(6-8-14)18-16(10-21)19(23)24-20(17(18)11-22)27-12-15-4-3-9-26-15/h3-9H,2,12H2,1H3,(H2,23,24).
What are the key properties of 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 376.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxyphenyl)-6-(furan-2-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 28622191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).