Basic information
- CAS
61876-25-3- Standard SMILES
Cl.O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccncc1- InChIKey
QPAUUWUTUFXEIT-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O
- Average molar mass
- 368.9 g/mol
- Monoisotopic mass
- 368.1655411
Names & identifiers
- Preferred name
- Isonicotinamide, N-(p-(1-adamantyl)phenyl)-, hydrochloride
- IUPAC
- N-[4-(1-adamantyl)phenyl]pyridine-4-carboxamide;hydrochloride
Names & synonyms
61876-25-3N-(p-(1-Adamantyl)phenyl)isonicotinamide hydrochlorideISONICOTINAMIDE, N-(p-(1-ADAMANTYL)PHENYL)-, HYDROCHLORIDEDTXSID102108554-Pyridinecarboxamide, N-(4-tricyclo(3.3.1.1(3,7))dec-1-ylphenyl)-, monohydrochloride4-Pyridinecarboxamide, N-(4-tricyclo(3.3.1.1(sup 3,7))dec-1-ylphenyl)-, monohydrochlorideRefChem:349652DTXCID40133346N-[4-(Adamantan-1-yl)phenyl]pyridine-4-carboxamide--hydrogen chloride (1/1)
Database identifiers
- CAS
61876-25-3- PubChem CID
- 43816
- DTXSID
DTXSID10210855
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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