N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
Basic information
- CAS
879029-92-2- Standard SMILES
COc1cc(C(=O)NCCNC(=O)c2cnccn2)cc(OC)c1OC- InChIKey
ZGJQGZMBLAUMKB-UHFFFAOYSA-N- Molecular formula
- C17H20N4O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.14336975
Names & identifiers
- Preferred name
- N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
- IUPAC
- N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamide
Names & synonyms
N-(2-(3,4,5-trimethoxybenzamido)ethyl)pyrazine-2-carboxamideN-[2-(3,4,5-Trimethoxybenzamido)ethyl]pyrazine-2-carboxamideMLS001220882CHEMBL1612266DTXSID801330901HMS2895H07N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]pyrazine-2-carboxamideSTK298271AKOS000653956Pyrazine-2-carboxylic acid [2-(3,4,5-trimethoxy-benzoylamino)-ethyl]-amide879029-92-2SMR000606488
Show more names
N-(2-{[(3,4,5-trimethoxyphenyl)carbonyl]amino}ethyl)pyrazine-2-carboxamide
Database identifiers
- CAS
879029-92-2- PubChem CID
- 6498566
- DTXSID
DTXSID801330901- ChEMBL
CHEMBL1612266
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 450
Experimental & physicochemical properties
Solubility39.4 [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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