1-[5-Nitroindole-2-carbonyl]-4-[3-(1,1-dimethylpropylamino)-2-pyridinyl]piperazine
Basic information
- Standard SMILES
CCC(C)(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1- InChIKey
POVDELCBVMKTTC-UHFFFAOYSA-N- Molecular formula
- C23H28N6O3
- Average molar mass
- 436.5 g/mol
Names & identifiers
- Preferred name
- 1-[5-Nitroindole-2-carbonyl]-4-[3-(1,1-dimethylpropylamino)-2-pyridinyl]piperazine
- IUPAC
- [4-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-(5-nitro-1H-indol-2-yl)methanone
Names & synonyms
SCHEMBL8795199POVDELCBVMKTTC-UHFFFAOYSA-N1-[5-Nitroindole-2-carbonyl]-4-[3-(1,1-dimethylpropylamino)-2-pyridinyl]piperazine
Database identifiers
- PubChem CID
- 21477599
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 675
Related reactions
4 records
Compound notes
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