Basic information
- CAS
121497-07-2- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NC(C)=O)cc1- InChIKey
WSBSYLABTNWVPU-UHFFFAOYSA-N- Molecular formula
- C19H22N2O5
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.15287181
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 4-(4-(acetylamino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
- IUPAC
- dimethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
BRN 6533445121497-07-23,5-Pyridinedicarboxylic acid, 4-(4-(acetylamino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl esterdimethyl 4-(4-acetamidophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 4-[4-(acetylamino)phenyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate3,5-pyridinedicarboxylic acid, 4-[4-(acetylamino)phenyl]-1,4-dihydro-2,6-dimethyl-, dimethyl esterSMR000073990NSC611427Y592VUG2WHMLS000099426MLS002541982CHEMBL307409
Show more names
CHEMBL3199537DTXSID70153279HMS2498G07STK220484AKOS003665900NSC-611427ST50434987VU0047132-1
Database identifiers
- CAS
121497-07-2- PubChem CID
- 356261
- DTXSID
DTXSID70153279- ChEMBL
CHEMBL307409、CHEMBL3199537- UNII
- Y592VUG2WH
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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