Basic information
- CAS
61876-27-5- Standard SMILES
Cl.O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccncc1- InChIKey
KJGHRQYBXLYYMF-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O
- Average molar mass
- 306.8 g/mol
- Monoisotopic mass
- 306.1498911
Names & identifiers
- Preferred name
- Isonicotinamide, N-(1-adamantylmethyl)-, hydrochloride
- IUPAC
- N-(1-adamantylmethyl)pyridine-4-carboxamide;hydrochloride
Names & synonyms
N-(1-Adamantylmethyl)isonicotinamide hydrochloride61876-27-5ISONICOTINAMIDE, N-(1-ADAMANTYLMETHYL)-, HYDROCHLORIDEDTXSID70210856RefChem:349636DTXCID00133347N-[(Adamantan-1-yl)methyl]pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-27-5- PubChem CID
- 43820
- DTXSID
DTXSID70210856
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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