Basic information
- CAS
126947-72-6- Standard SMILES
CN(C(=O)c1cncc(Br)c1)C12CC3CC(CC(C3)C1)C2- InChIKey
RBIGPVVIBVAWJV-UHFFFAOYSA-N- Molecular formula
- C17H21BrN2O
- Average molar mass
- 349.3 g/mol
- Monoisotopic mass
- 348.08373
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, 5-bromo-N-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-
- IUPAC
- N-(1-adamantyl)-5-bromo-N-methylpyridine-3-carboxamide
Names & synonyms
BRN 42618481-N-(5-Bromonicotinoylmethylamino)adamantane126947-72-63-Pyridinecarboxamide, 5-bromo-N-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-DTXSID901553515-Bromo-N-methyl-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-3-pyridinecarboxamideRefChem:282094DTXCID1077842N-(Adamantan-1-yl)-5-bromo-N-methylpyridine-3-carboxamide
Database identifiers
- CAS
126947-72-6- PubChem CID
- 64610
- DTXSID
DTXSID90155351
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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