3-Cyclohexene-1-carboxylic acid, 4-((5-chloro-2-pyridinyl)amino)-6-methyl-2-oxo-, methyl ester
Basic information
- CAS
149221-14-7- Standard SMILES
COC(=O)C1C(=O)C=C(Nc2ccc(Cl)cn2)CC1C- InChIKey
BFAOEAQFZQPPRV-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O3
- Average molar mass
- 294.73 g/mol
- Monoisotopic mass
- 294.07712
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-carboxylic acid, 4-((5-chloro-2-pyridinyl)amino)-6-methyl-2-oxo-, methyl ester
- IUPAC
- methyl 4-[(5-chloro-2-pyridinyl)amino]-6-methyl-2-oxocyclohex-3-ene-1-carboxylate
Names & synonyms
149221-14-7Methyl 4-((5-chloro-2-pyridinyl)amino)-6-methyl-2-oxo-3-cyclohexene-1-carboxylate3-Cyclohexene-1-carboxylic acid, 4-((5-chloro-2-pyridinyl)amino)-6-methyl-2-oxo-, methyl esterRefChem:278764methyl 4-[(5-chloropyridin-2-yl)amino]-6-methyl-2-oxocyclohex-3-ene-1-carboxylateCHEMBL461626DTXSID20933583
Database identifiers
- CAS
149221-14-7- PubChem CID
- 3073465
- DTXSID
DTXSID20933583- ChEMBL
CHEMBL461626- Nikkaji
- J572.353A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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