1-(5-Nitropyridin-2-yl)piperidine-4-carboxamide
Basic information
- CAS
752944-99-3- Standard SMILES
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1- InChIKey
BPQPTXRLVFYMEP-UHFFFAOYSA-N- Molecular formula
- C11H14N4O3
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.10659032
Names & identifiers
- Preferred name
- 1-(5-Nitropyridin-2-yl)piperidine-4-carboxamide
- IUPAC
- 1-(5-nitro-2-pyridinyl)piperidine-4-carboxamide
- English name
- 4-Piperidinecarboxamide,N-(5-nitro-2-pyridinyl)-(9CI)
- Molecular formula
- C11H14N4O3
- Molecular weight
- 250.25
Names & synonyms
1-(5-nitropyridin-2-yl)piperidine-4-carboxamide752944-99-31-(5-nitro-2-pyridyl)piperidine-4-carboxamideSCHEMBL594097SCHEMBL10223288DTXSID70390400BPQPTXRLVFYMEP-UHFFFAOYSA-NMFCD07021575STK2127495'-Nitro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid amideAKOS000588520SB44166
Show more names
N-(5-nitropyridin-2-yl)piperidine-4-carboxamide4-Piperidinecarboxamide, N-(5-nitro-2-pyridinyl)-4-Piperidinecarboxamide,N-(5-nitro-2-pyridinyl)-(9CI)2-(4-Carbamoylpiperidin-1-yl)-4-nitropyridine, 4-Carbamoyl-1-(4-nitropyridin-2-yl)piperidine
DB-017237ST50296078
Database identifiers
- CAS
752944-99-3- PubChem CID
- 3165136
- DTXSID
DTXSID70390400
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- Boiling point
- 515.1 · 515.1±50.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
8 records
Compound notes
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