Basic information
- CAS
24813-21-6- Standard SMILES
O=C(NC12CC3CC(CC(C3)C1)C2)c1cccnc1- InChIKey
OHZXNEWKZYPAFC-UHFFFAOYSA-N- Molecular formula
- C16H20N2O
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.15756327
Names & identifiers
- Preferred name
- Nicotinamide, N-(1-adamantyl)-
- IUPAC
- N-(1-adamantyl)pyridine-3-carboxamide
Names & synonyms
24813-21-6Nicotinamide, N-(1-adamantyl)-N-(Adamantan-1-yl)nicotinamide3-Pyridinecarboxamide,N-tricyclo[3.3.1.13,7]dec-1-yl-N-(1-Adamantyl)nicotinamide3-Pyridinecarboxamide, N-tricyclo[3.3.1.13,7]dec-1-yl-BRN 0481088N-adamantyl nicotinamideN-1-adamantylnicotinamideChemDiv3_004666Cambridge id 5357799Oprea1_012039
Show more names
Oprea1_335769MLS000106107CHEMBL1413218SCHEMBL23902890DTXSID50179513HMS1486E02HMS2459H17N-(tricyclo[3.3.1.1~3,7~]dec-1-yl)pyridine-3-carboxamide
Database identifiers
- CAS
24813-21-6- PubChem CID
- 64196
- DTXSID
DTXSID50179513- ChEMBL
CHEMBL1413218- Nikkaji
- J68.237C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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