Basic information
- Standard SMILES
N#Cc1ccc(-n2cc(-c3cc(C#N)c(N)nc3-c3ccco3)ccc2=O)cc1- InChIKey
OMWKJINXWQGQGH-UHFFFAOYSA-N- Molecular formula
- C22H13N5O2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.10692467
Names & identifiers
- Preferred name
- 2-Amino-5-[1-(4-cyanophenyl)-6-oxo-1,6-dihydro-3-pyridinyl]-6-(2-furyl)nicotinonitrile
- IUPAC
- 2-amino-5-[1-(4-cyanophenyl)-6-oxo-3-pyridinyl]-6-(furan-2-yl)pyridine-3-carbonitrile
Names & synonyms
SCHEMBL3838834OMWKJINXWQGQGH-UHFFFAOYSA-N2-Amino-5-[1-(4-cyanophenyl)-6-oxo-1,6-dihydro-3-pyridinyl]-6-(2-furyl)nicotinonitrile
Database identifiers
- PubChem CID
- 12992140
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 795
Related reactions
2 records
Compound notes
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