Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
Basic information
- CAS
346716-96-9- Standard SMILES
COC(=O)c1cc(NC(=O)c2cccnc2)cc(C(=O)OC)c1- InChIKey
YXLPXKCMLHKEHE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- Dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
- IUPAC
- dimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylate
Names & synonyms
346716-96-9dimethyl 5-(nicotinamido)isophthalateDimethyl 5-[(pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylatedimethyl 5-(pyridine-3-carbonylamino)benzene-1,3-dicarboxylateCBMicro_019147Oprea1_292778MLS001204030CHEMBL1896690DTXSID401329679HMS2822K245-[(Pyridine-3-carbonyl)-amino]-isophthalic acid dimethyl esterCCG-7122
Show more names
dimethyl 5-[(pyridin-3-ylcarbonyl)amino]benzene-1,3-dicarboxylateSTK084226AKOS000670553UPCMLD0ENAT5742818:001SMR000514818BIM-0019088.P001EU-0074330ST50003909
Database identifiers
- CAS
346716-96-9- PubChem CID
- 738262
- DTXSID
DTXSID401329679- ChEMBL
CHEMBL1896690
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 430
Experimental & physicochemical properties
Solubility5.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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