Basic information
- CAS
126947-71-5- Standard SMILES
O=C(NC1C2CC3CC(C2)CC1C3)c1cncc(Br)c1- InChIKey
LAKYMYXZQIAIDK-UHFFFAOYSA-N- Molecular formula
- C16H19BrN2O
- Average molar mass
- 335.24 g/mol
- Monoisotopic mass
- 334.06808
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-
- IUPAC
- N-(2-adamantyl)-5-bromopyridine-3-carboxamide
Names & synonyms
2-(5-Bromonicotinoylamino)adamantane126947-71-5BRN 42598663-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-DTXSID301553505-Bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-2-yl-3-pyridinecarboxamideRefChem:282096DTXCID6077841SCHEMBL6085007AKOS008978775N-(ADAMANTAN-2-YL)-5-BROMOPYRIDINE-3-CARBOXAMIDE
Database identifiers
- CAS
126947-71-5- PubChem CID
- 64609
- DTXSID
DTXSID30155350
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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