Basic information
- Standard SMILES
Cc1cccc(C(=O)NC23CC4CC(C2)CC(NC(=O)c2ccn(C)n2)(C4)C3)n1- InChIKey
JHOWEYPVZWZTBW-UHFFFAOYSA-N- Molecular formula
- C22H27N5O2
- Average molar mass
- 393.5 g/mol
Names & identifiers
- Preferred name
- 6-Methyl-pyridine-2-carboxylic acid {3-[(1-methyl-1H-pyrazole-3-carbonyl)-amino]-adamantan-1-yl}-amide
- IUPAC
- 6-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyridine-2-carboxamide
Names & synonyms
SCHEMBL1578550JHOWEYPVZWZTBW-UHFFFAOYSA-N6-Methyl-pyridine-2-carboxylic acid {3-[(1-methyl-1H-pyrazole-3-carbonyl)-amino]-adamantan-1-yl}-amide
Database identifiers
- PubChem CID
- 44633205
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 668
Related reactions
5 records
Compound notes
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