2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile

C15H9N3O2S — CID 22708016

IUPAC2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccsc2C=O)c(-c2ccco2)nc1N
InChIInChI=1S/C15H9N3O2S/c16-7-9-6-11(10-3-5-21-13(10)8-19)14(18-15(9)17)12-2-1-4-20-12/h1-6,8H,(H2,17,18)
InChIKeyJXCIQSCEEBCNCB-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.34
Rot. Bonds3

About 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile

2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 22708016) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID22708016
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccsc2C=O)c(-c2ccco2)nc1N
InChIInChI=1S/C15H9N3O2S/c16-7-9-6-11(10-3-5-21-13(10)8-19)14(18-15(9)17)12-2-1-4-20-12/h1-6,8H,(H2,17,18)
InChIKeyJXCIQSCEEBCNCB-UHFFFAOYSA-N
XLogP3.34
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile (CID 22708016) is 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile is N#Cc1cc(-c2ccsc2C=O)c(-c2ccco2)nc1N.
What is the InChIKey of 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is JXCIQSCEEBCNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c16-7-9-6-11(10-3-5-21-13(10)8-19)14(18-15(9)17)12-2-1-4-20-12/h1-6,8H,(H2,17,18).
What are the key properties of 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile?
2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-formylthiophen-3-yl)-6-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 22708016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).