Basic information
- CAS
73781-92-7- Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C(=O)OC)cn1- InChIKey
ZIECLTMQFCNTHH-UHFFFAOYSA-N- Molecular formula
- C23H40N2O2
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.30897852
Names & identifiers
- Preferred name
- Methyl 6-hexadecylamino-3-pyridinecarboxylate
- IUPAC
- methyl 6-(hexadecylamino)pyridine-3-carboxylate
Names & synonyms
CHEMBL30363SCHEMBL11184789ZIECLTMQFCNTHH-UHFFFAOYSA-NDTXSID80124197073781-92-7methyl 6-hexadecylamino-3-pyridinecarboxylateMethyl 6-(hexadecylamino)-3-pyridinecarboxylatemethyl 6-(hexadecylamino)pyridine-3-carboxylate
Database identifiers
- CAS
73781-92-7- PubChem CID
- 20503576
- DTXSID
DTXSID801241970- ChEMBL
CHEMBL30363
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 349
Related reactions
2 records
Compound notes
Loading…