Basic information
- Standard SMILES
Nc1ccc(C(=O)NCc2ccc(OCc3ccccc3)cc2)c(N)n1- InChIKey
PHRDZJXAFCOAAU-UHFFFAOYSA-N- Molecular formula
- C20H20N4O2
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 2,6-Diamino-N-(4-benzyloxy-benzyl)-nicotinamide
- IUPAC
- 2,6-diamino-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL1680958PHRDZJXAFCOAAU-UHFFFAOYSA-N2,6-Diamino-N-(4-benzyloxy-benzyl)-nicotinamide
Database identifiers
- PubChem CID
- 11450892
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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