3-Pyridinecarboxylic acid, 5-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, ethyl ester
Basic information
- CAS
126947-73-7- Standard SMILES
CCOC(=O)c1cncc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1- InChIKey
XAPROWNTGUUMIR-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.17869263
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 5-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, ethyl ester
- IUPAC
- ethyl 5-(adamantane-1-carbonylamino)pyridine-3-carboxylate
Names & synonyms
BRN 4299455126947-73-75-(Adamant-1-ylamino)nicotinic acid ethyl ester3-Pyridinecarboxylic acid, 5-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylcarbonyl)amino)-, ethyl esterRefChem:282284DTXSID00925749N-[5-(Ethoxycarbonyl)pyridin-3-yl]adamantane-1-carboximidic acid
Database identifiers
- CAS
126947-73-7- PubChem CID
- 64611
- DTXSID
DTXSID00925749
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 477
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