2-Amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
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Basic information
- CAS
161689-53-8- Standard SMILES
N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccco1- InChIKey
LZBOBIXSMDCUFY-UHFFFAOYSA-N- Molecular formula
- C19H12N4O2S
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.06809681
Names & identifiers
- Preferred name
- 2-Amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
- IUPAC
- 2-amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
- English name
- 2-amino-4-(2-furyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrile
- Molecular formula
- C19H12N4O2S
- Molecular weight
- 360.39
Names & synonyms
161689-53-82-amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile2-amino-4-(2-furyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrileCHEMBL4557518LZBOBIXSMDCUFY-UHFFFAOYSA-NAE-848/31937056BDBM50528506STK838382AKOS001143655Z1117792822-Amino-4-(2-furyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-3,5-pyridinedicarbonitrile #2-amino-4-(furan-2-yl)-6-((2-oxo-2-phenylethyl)thio)pyridine-3,5-dicarbonitrile
Show more names
2-amino-4-(furan-2-yl)-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3,5-dicarbonitrile3,5-Pyridinedicarbonitrile, 2-amino-4-(2-furanyl)-6-[(2-oxo-2-phenylethyl)thio]-
Database identifiers
- CAS
161689-53-8- PubChem CID
- 571407
- ChEMBL
CHEMBL4557518
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
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Compound notes
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