3,4,5-triethoxy-N-pyridin-3-ylbenzamide

HCID 780282

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Basic information

CAS: 292052-76-7
Standard SMILES: CCOc1cc(C(=O)Nc2cccnc2)cc(OCC)c1OCC
InChIKey: PHHCLTOYQKAXLJ-UHFFFAOYSA-N
Molecular formula: C18H22N2O4
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.15795719

Names & identifiers

Preferred name: 3,4,5-triethoxy-N-pyridin-3-ylbenzamide
IUPAC: 3,4,5-triethoxy-N-pyridin-3-ylbenzamide

Names & synonyms

3,4,5-triethoxy-N-pyridin-3-ylbenzamide292052-76-73,4,5-Triethoxy-N-pyridin-3-yl-benzamide3,4,5-triethoxy-N-(pyridin-3-yl)benzamideOprea1_054131Oprea1_780101MLS001211349CHEMBL1875451DTXSID701330172HMS2829G07STK057574AKOS000644468

Show more names

SMR000516216ST0654673,4,5-triethoxy-N-(3-pyridinyl)benzamideAN-652/12239271N-(3-pyridyl)(3,4,5-triethoxyphenyl)carboxamideSR-01000419324SR-01000419324-1Z31791493

Database identifiers

CAS: 292052-76-7
PubChem CID: 780282
DTXSID: DTXSID701330172
ChEMBL: CHEMBL1875451

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 364

Experimental & physicochemical properties

Solubility47.3 [ug/mL] (The mean of the results at pH 7.4)

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