Basic information
- CAS
61876-30-0- Standard SMILES
CC(NC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2- InChIKey
TYWKELVKYPGOOX-UHFFFAOYSA-N- Molecular formula
- C18H24N2O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.18886339
Names & identifiers
- Preferred name
- Nicotinamide, N-(1-(1-adamantyl)ethyl)-
- IUPAC
- N-[1-(1-adamantyl)ethyl]pyridine-3-carboxamide
Names & synonyms
N-(1-(1-Adamantyl)ethyl)nicotinamide61876-30-0BRN 0413298Nicotinamide, N-(1-(1-adamantyl)ethyl)-3-Pyridinecarboxamide, N-(1-tricyclo(3.3.1.1(sup 3,7))dec-1-ylethyl)-5-22-02-00085 (Beilstein Handbook Reference)RefChem:365572Oprea1_257692Oprea1_260808DTXSID10977431AKOS000443625AKOS003748151
Show more names
AKOS016860120N-(adamantanylethyl)-3-pyridylcarboxamideN-[1-(adamantan-1-yl)ethyl]nicotinamideST062785SR-01000323224SR-01000323224-1Z26512196N-[1-(Adamantan-1-yl)ethyl]pyridine-3-carboximidic acid
Database identifiers
- CAS
61876-30-0- PubChem CID
- 64418
- DTXSID
DTXSID10977431- Nikkaji
- J68.238A
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…