Basic information
- Standard SMILES
N#CNC(=NCc1cccc(OCc2ccccc2)c1)c1cccnc1- InChIKey
WKRWNTNVNFNZEX-UHFFFAOYSA-N- Molecular formula
- C21H18N4O
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.14806121
Names & identifiers
- Preferred name
- N-cyano-N'-(3-benzyloxybenzyl)-3-pyridinecarboximidamide
- IUPAC
- N-cyano-N'-[(3-phenylmethoxyphenyl)methyl]pyridine-3-carboximidamide
Names & synonyms
SCHEMBL9213479SCHEMBL9213482SCHEMBL9217254WKRWNTNVNFNZEX-UHFFFAOYSA-NN-cyano-N'-(3-benzyloxybenzyl)-3-pyridinecarboximidamide
Database identifiers
- PubChem CID
- 19734575
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Related reactions
4 records
Compound notes
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