Basic information
- Standard SMILES
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)c1cccnc1- InChIKey
YYQALOWPCKMFDQ-UHFFFAOYSA-N- Molecular formula
- C28H39N3O2
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.3042275
Names & identifiers
- Preferred name
- N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]pyridine-3-carboxamide
- IUPAC
- N-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyl]pyridine-3-carboxamide
Names & synonyms
CAT-2054SCHEMBL6518675UAC18169
Database identifiers
- PubChem CID
- 69809776
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 662
Related reactions
1 records
Compound notes
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