Basic information
- Standard SMILES
Cc1cc(Br)cnc1CCCCNc1ncc(Cc2cccnc2)cc1O- InChIKey
LPPNZFKXKUAZAO-UHFFFAOYSA-N- Molecular formula
- C21H23BrN4O
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.10552
Names & identifiers
- Preferred name
- 2-[4-(5-Bromo-3-methylpyrid-2-yl)butylamino]-3-hydroxy-5-(pyrid-3-ylmethyl)pyridine
- IUPAC
- 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-(pyridin-3-ylmethyl)pyridin-3-ol
Names & synonyms
SCHEMBL10365752LPPNZFKXKUAZAO-UHFFFAOYSA-N2-[4-(5-Bromo-3-methylpyrid-2-yl)butylamino]-3-hydroxy-5-(pyrid-3-ylmethyl)pyridine
Database identifiers
- PubChem CID
- 19851782
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 427
Related reactions
4 records
Compound notes
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