Basic information
- CAS
240115-99-5- Standard SMILES
CCOC(CNC(=O)NC(=O)c1cccnc1)OCC- InChIKey
QJLAVWOEIICHHF-UHFFFAOYSA-N- Molecular formula
- C13H19N3O4
- Average molar mass
- 281.31 g/mol
Names & identifiers
- Preferred name
- N-(2,2-diethoxyethyl)-N'-(3-pyridinylcarbonyl)urea
- IUPAC
- N-(2,2-diethoxyethylcarbamoyl)pyridine-3-carboxamide
- English name
- N-(2,2-Diethoxyethyl)-N'-(3-pyridinylcarbonyl)urea
- Molecular formula
- C13H19N3O4
- Molecular weight
- 281.31
Names & synonyms
240115-99-5N-(2,2-diethoxyethyl)-N'-(3-pyridinylcarbonyl)urea3-(2,2-diethoxyethyl)-1-(pyridine-3-carbonyl)ureaMFCD00108679N-(2,2-diethoxyethylcarbamoyl)pyridine-3-carboxamideAKOS005073963N-((2,2-diethoxyethyl)carbamoyl)nicotinamide10B-0403-Pyridinecarboxamide, N-[[(2,2-diethoxyethyl)amino]carbonyl]-
Database identifiers
- CAS
240115-99-5
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- pka
- 9.9 · 9.90±0.46(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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