Basic information
- Standard SMILES
COC(=O)C12CC3CC(CC(NC(=O)c4ccccn4)(C3)C1)C2- InChIKey
LJHLUQKNANHGMI-UHFFFAOYSA-N- Molecular formula
- C18H22N2O3
- Average molar mass
- 314.4 g/mol
Names & identifiers
- Preferred name
- 3-[(Pyridine-2-carbonyl)-amino]adamantane-1-carboxylic acid methyl ester
- IUPAC
- methyl 3-(pyridine-2-carbonylamino)adamantane-1-carboxylate
Names & synonyms
SCHEMBL1578573LJHLUQKNANHGMI-UHFFFAOYSA-N3-[(Pyridine-2-carbonyl)-amino]-adamantane-1-carboxylic acid methyl ester3-[(Pyridine-2-carbonyl)-amino]adamantane-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 49720449
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 504
Related reactions
9 records
Compound notes
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