Basic information
- CAS
61876-26-4- Standard SMILES
CC(NC(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2.Cl- InChIKey
KGSMSQYOYAZVGW-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O
- Average molar mass
- 320.9 g/mol
- Monoisotopic mass
- 320.1655411
Names & identifiers
- Preferred name
- Isonicotinamide, N-(1-(1-adamantyl)ethyl)-, hydrochloride
- IUPAC
- N-[1-(1-adamantyl)ethyl]pyridine-4-carboxamide;hydrochloride
Names & synonyms
N-(1-(1-Adamantyl)ethyl)isonicotinamide hydrochloride61876-26-4ISONICOTINAMIDE, N-(1-(1-ADAMANTYL)ETHYL)-, HYDROCHLORIDERefChem:349633DTXSID50977430N-[1-(Adamantan-1-yl)ethyl]pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-26-4- PubChem CID
- 43818
- DTXSID
DTXSID50977430
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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