N-(2,5-Dimethoxy-phenyl)-N'-pyridin-4-ylmethyl-oxalamide
Basic information
- CAS
5667-39-0- Standard SMILES
COc1ccc(OC)c(NC(=O)C(=O)NCc2ccncc2)c1- InChIKey
BAHDURDTVTUNEV-UHFFFAOYSA-N- Molecular formula
- C16H17N3O4
- Average molar mass
- 315.32 g/mol
- Monoisotopic mass
- 315.12190603
Names & identifiers
- Preferred name
- N-(2,5-Dimethoxy-phenyl)-N'-pyridin-4-ylmethyl-oxalamide
- IUPAC
- N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamide
Names & synonyms
STK1629225667-39-0MLS000564435N-(2,5-Dimethoxy-phenyl)-N'-pyridin-4-ylmethyl-oxalamideCBMicro_000461CHEMBL1516842N'-(2,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)oxamideDTXSID20367324HMS2587F19SMSF0006784AKOS000438427CB01672
Show more names
SMR000175969BIM-0000484.P001AG-690/12886600SR-01000472432SR-01000472432-1N-(2,5-dimethoxyphenyl)-N'-(4-pyridinylmethyl)ethanediamideN-(2,5-dimethoxyphenyl)-N'-(pyridin-4-ylmethyl)ethanediamideN~1~-(2,5-dimethoxyphenyl)-N~2~-(4-pyridinylmethyl)ethanediamide
Database identifiers
- CAS
5667-39-0- PubChem CID
- 2256248
- DTXSID
DTXSID20367324- ChEMBL
CHEMBL1516842
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 399
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Compound notes
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