Basic information
- CAS
1702-19-8- Standard SMILES
CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)CCN(C)C1- InChIKey
WTJSQCUGXQFUHN-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.12699141
Names & identifiers
- Preferred name
- 1,2,5,6-Tetrahydro-1,3-dimethyl-4-(4-nitrobenzamido)pyridine
- IUPAC
- N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-4-nitrobenzamide
Names & synonyms
T546QZ99P4UNII-T546QZ99P41,2,5,6-Tetrahydro-1,3-dimethyl-4-(4-nitrobenzamido)pyridine1702-19-8Benzamide, 4-nitro-N-(1,2,3,6-tetrahydro-1,5-dimethyl-4-pyridinyl)-DTXSID10274553N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-4-nitrobenzamideN-(1,5-dimethyl-1,2,3,6-tetrahydropyridin-4-yl)-4-nitrobenzamide
Database identifiers
- CAS
1702-19-8、1702-20-1- PubChem CID
- 15554
- DTXSID
DTXSID10274553- UNII
- T546QZ99P4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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