Basic information
- CAS
51832-87-2- Standard SMILES
Cc1cc(C)cc(C(=O)NCc2ccncc2)c1- InChIKey
JROSDBYIFZWPBP-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Overview
Picobenzide is a small molecule drug. Picobenzide has a monoisotopic molecular weight of 240.13 Da.
Names & identifiers
- Preferred name
- 3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
- IUPAC
- 3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
- English name
- Picobenzide
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
Picobenzide51832-87-2Picobenzidumpicobencida3,5-Dimethyl-N-(4-pyridinylmethyl)benzamideN-(4-Picolyl)-3,5-dimethylbenzamideC46317G8F0M 14012-4DTXSID10199792BENZAMIDE, 3,5-DIMETHYL-N-(4-PYRIDINYLMETHYL)-RefChem:174157DTXCID70122283
Show more names
MA-14012M-14012-4
M-14012Picobenzide [INN]3,5-Dimethyl-N-(4-pyridylmethyl)benzamide3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamideMLS0000684353,5-dimethyl-N-[(pyridin-4-yl)methyl]benzamideSMR000014432Picobenzidum [INN-Latin]
Database identifiers
- CAS
51832-87-2- PubChem CID
- 40146
- DTXSID
DTXSID10199792- ChEMBL
CHEMBL1581974- UNII
- C46317G8F0
- Nikkaji
- J12.895C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 411.3 · 411.3±45.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.46(Predicted)
- FDA UNII
- 46317 G8F0 · C46317G8F0
Chemistry & industry
Suppliers4 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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