3-[(Pyridine-2-carbonyl)-amino]adamantane-1-carboxylic acid methyl ester

HCID 49720449

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

Related reactions

9 records

Compound notes

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