Basic information
- CAS
51832-85-0- Standard SMILES
Cc1cc(C)cc(C(=O)NCc2ccccn2)c1- InChIKey
NWMRLCLEASCQCO-UHFFFAOYSA-N- Molecular formula
- C15H16N2O
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.12626314
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(2-Picolyl)-3,5-dimethylbenzamide
- IUPAC
- 3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
- English name
- N-(2-picolyl)-3,5-dimethylbenzamide
- Molecular formula
- C15H16N2O
- Molecular weight
- 240.3
Names & synonyms
N-(2-Picolyl)-3,5-dimethylbenzamide51832-85-0DTXSID90199790M-14012-2RefChem:161810DTXCID501222813,5-dimethyl-N-(pyridin-2-ylmethyl)benzamideM 14012-2BRN 04005443,5-Dimethyl-N-(2-pyridinylmethyl)benzamideBenzamide,3,5-dimethyl-N-(2-pyridinylmethyl)-3,5-dimethyl-N-[(pyridin-2-yl)methyl]benzamide
Show more names
3,5-Dimethyl-N-(2-pyridylmethyl)benzamide
5-22-09-00246 (Beilstein Handbook Reference)orb1985575SCHEMBL3366646BENZAMIDE, 3,5-DIMETHYL-N-(2-PYRIDINYLMETHYL)-N-picolyl-3,5-dimethylbenzamideAKOS000764131DB-230916ST50313692
Database identifiers
- CAS
51832-85-0- PubChem CID
- 40144
- DTXSID
DTXSID90199790- Nikkaji
- J395.000J
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
- 270
Physicochemical properties
- Boiling point
- 394.4 · 394.4±42.0 °C(Predicted)
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- pka
- 13.94 · 13.94±0.46(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [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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