Basic information
- CAS
39585-48-3- Standard SMILES
NC(=O)c1cnccc1/C=C/c1ccccc1- InChIKey
NJYVZKYKDVQUAH-VOTSOKGWSA-N- Molecular formula
- C14H12N2O
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.09496301
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, 4-(2-phenylethenyl)-, (E)-
- IUPAC
- 4-[(E)-2-phenylethenyl]pyridine-3-carboxamide
- English name
- 4-Styrylnicotinamide
- Molecular formula
- C14H12N2O
- Molecular weight
- 224.26
Names & synonyms
DTXSID2012335893-Pyridinecarboxamide, 4-(2-phenylethenyl)-, (E)-39585-48-3RefChem:1068655DTXCID6016647884-StyrylnicotinamideNicotinamide, 4-styryl-74039-05-73-Pyridinecarboxamide, 4-(2-phenylethenyl)-MLS002694135trans-4-StyrylnicotinamidNSC 79572
Show more names
WLN: T6NJ CVZ D1U1R4-[(E)-2-phenylethenyl]pyridine-3-carboxamideGC43LSD2F64-Styrylnicotinamide, trans-SCHEMBL4073897NSC79572NSC-79572AKOS004902016
Database identifiers
- CAS
39585-48-3、74039-05-7- PubChem CID
- 6141586
- DTXSID
DTXSID201233589- UNII
- GC43LSD2F6
- Nikkaji
- J68.282I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 424.064 · 424.064±24.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.215 · 1.215±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.72 · 14.720±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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