3,4,5-trimethoxy-N-3-pyridylbenzamide
Basic information
- CAS
31638-96-7- Standard SMILES
COc1cc(C(=O)Nc2cccnc2)cc(OC)c1OC- InChIKey
PGTYKYABUDWSST-UHFFFAOYSA-N- Molecular formula
- C15H16N2O4
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.111007
Names & identifiers
- Preferred name
- 3,4,5-trimethoxy-N-3-pyridylbenzamide
- IUPAC
- 3,4,5-trimethoxy-N-pyridin-3-ylbenzamide
- English name
- 3,4,5-trimethoxy-N-3-pyridylbenzamide
- Molecular formula
- C15H16N2O4
- Molecular weight
- 288.3
Names & synonyms
3,4,5-Trimethoxy-N-3-pyridylbenzamide3,4,5-trimethoxy-N-pyridin-3-ylbenzamideF2D5VBB56R3,4,5-TRIMETHOXY-N-3-PYRIDINYLBENZAMIDEEINECS 250-746-8Benzamide, 3,4,5-trimethoxy-N-3-pyridinyl-DTXSID00185523RefChem:90927DTXCID40108014250-746-831638-96-73,4,5-trimethoxy-N-(pyridin-3-yl)benzamide
Show more names
Troxipide Impurity 5
Troxipide Impurity 1UNII-F2D5VBB56RCHEMBL651493,4,5-Trimethoxy-N-pyridin-3-yl-benzamide3,4,5-trimethoxy-N-(3-pyridinyl)benzamideOprea1_665558Oprea1_817852MLS001203282
Database identifiers
- CAS
31638-96-7- PubChem CID
- 678080
- DTXSID
DTXSID00185523- ChEMBL
CHEMBL65149- UNII
- F2D5VBB56R
- EC Number
- 250-746-8
- Nikkaji
- J134.875B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Solubility>43.2 [ug/mL] (The mean of the results at pH 7.4)
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 395.4 · 395.4±42.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 11.91 · 11.91±0.70(Predicted)
- FDA UNII
- 2 D5VBB56R · F2D5VBB56R
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses3,4,5-Trimethoxy-N-3-pyridinylbenzamide is used in the preparation of iridium benzoylaminopyridinium complex.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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