4-Benzyloxy-N-(4-fluorobenzyl)-5-methoxy-6-methylnicotinamide
Basic information
- Standard SMILES
COc1c(C)ncc(C(=O)NCc2ccc(F)cc2)c1OCc1ccccc1- InChIKey
RRYZOCWBCPDPLH-UHFFFAOYSA-N- Molecular formula
- C22H21FN2O3
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.1536207
Names & identifiers
- Preferred name
- 4-Benzyloxy-N-(4-fluorobenzyl)-5-methoxy-6-methylnicotinamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-5-methoxy-6-methyl-4-phenylmethoxypyridine-3-carboxamide
Names & synonyms
SCHEMBL2186250RRYZOCWBCPDPLH-UHFFFAOYSA-N4-Benzyloxy-N-(4-fluorobenzyl)-5-methoxy-6-methylnicotinamide
Database identifiers
- PubChem CID
- 57722487
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 478
Related reactions
3 records
Compound notes
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