Basic information
- CAS
130760-57-5- Standard SMILES
Cc1cccc(NC(=O)c2cccc(C(=O)Nc3cccc(C)n3)c2)n1- InChIKey
NATVKKXERQXPEP-UHFFFAOYSA-N- Molecular formula
- C20H18N4O2
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.14297583
Names & identifiers
- Preferred name
- 1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
- IUPAC
- 1-N,3-N-bis(6-methyl-2-pyridinyl)benzene-1,3-dicarboxamide
- English name
- 1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
- Molecular formula
- C20H18N4O2
- Molecular weight
- 346.38
Names & synonyms
130760-57-51,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-DTXSID40352151RefChem:217761DTXCID70303217N,N'-Bis-(6-methyl-pyridin-2-yl)-isophthalamide1-N,3-N-bis(6-methylpyridin-2-yl)benzene-1,3-dicarboxamideOprea1_187083Oprea1_192208MLS001203615CHEMBL1315152HMS2841C22
Show more names
1,3-Benzenedicarboxamide, N1,N3-bis(6-methyl-2-pyridinyl)-
AKOS000747189SMR000514139ST011845Z57190423N~1~,N~3~-Bis(6-methylpyridin-2-yl)benzene-1,3-dicarboxamideN-(6-methyl(2-pyridyl)){3-[N-(6-methyl(2-pyridyl))carbamoyl]phenyl}carboxamide
Database identifiers
- CAS
130760-57-5- PubChem CID
- 720149
- DTXSID
DTXSID40352151- ChEMBL
CHEMBL1315152- EC Number
- 163-655-2
- Nikkaji
- J1.186.309D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 424.9 · 424.9±45.0 °C(Predicted)
- Density
- 1.301 · 1.301±0.06 g/cm3(Predicted)
- pka
- 11.37 · 11.37±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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