Pentanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-
Basic information
- CAS
123947-03-5- Standard SMILES
CCCCC(=O)Nc1ccc(Cc2ccccn2)c([N+](=O)[O-])c1- InChIKey
GPACCUWDMXPHBM-UHFFFAOYSA-N- Molecular formula
- C17H19N3O3
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.14264148
Names & identifiers
- Preferred name
- Pentanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-
- IUPAC
- N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]pentanamide
Names & synonyms
alpha-(p-Valerylamino-o-nitrobenzyl)pyridinePentanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-N-(3-Nitro-4-(2-pyridinylmethyl)phenyl)pentanamide123947-03-5DTXSID80154156RefChem:368073DTXCID8076647SCHEMBL9636354N-{3-Nitro-4-[(pyridin-2-yl)methyl]phenyl}pentanamide
Database identifiers
- CAS
123947-03-5- PubChem CID
- 3079019
- DTXSID
DTXSID80154156
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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