2-(3,4-dimethylphenoxy)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Basic information
- CAS
328563-43-5- Standard SMILES
Cc1ccc(OCC(=O)N/N=C/c2cccnc2)cc1C- InChIKey
GYJJISDYXXIQAK-VCHYOVAHSA-N- Molecular formula
- C16H17N3O2
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.13207679
Names & identifiers
- Preferred name
- 2-(3,4-dimethylphenoxy)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
- IUPAC
- 2-(3,4-dimethylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Names & synonyms
328563-43-52-(3,4-dimethylphenoxy)-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide2-(3,4-Dimethylphenoxy)-N'-(pyridin-3-ylmethylene)acetohydrazideF0166-00132-(3,4-dimethylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide2-(3,4-dimethylphenoxy)-N'-[(1E)-(pyridin-3-yl)methylidene]acetohydrazideMLS000950056CHEMBL3185917DTXSID101321840SMSSF-0061928STK272616AKOS001595262
Show more names
SMR000619810SR-01000080000SR-01000080000-1(E)-2-(3,4-dimethylphenoxy)-N'-(pyridin-3-ylmethylene)acetohydrazide1-[(E)-2-[(3-pyridyl)methylene]hydrazino]-2-(3,4-xylyloxy)-1-ethanone2-(3,4-DIMETHYLPHENOXY)-N'-[(E)-(PYRIDIN-3-YL)METHYLIDENE]ACETOHYDRAZIDE
Database identifiers
- CAS
328563-43-5- PubChem CID
- 9607660
- DTXSID
DTXSID101321840- ChEMBL
CHEMBL3185917
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility34.7 [ug/mL] (The mean of the results at pH 7.4)
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