Basic information
- CAS
833452-24-7- Standard SMILES
O=C(C#Cc1ccccc1)NC1CCN(c2ncccc2[N+](=O)[O-])C1- InChIKey
ADWYRVYGKZBLKQ-UHFFFAOYSA-N- Molecular formula
- C18H16N4O3
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12224039
Names & identifiers
- Preferred name
- 2-Propynamide, N-[1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]-3-phenyl-
- IUPAC
- N-[1-(3-nitro-2-pyridinyl)pyrrolidin-3-yl]-3-phenylprop-2-ynamide
Names & synonyms
833452-24-72-Propynamide, N-[1-(3-nitro-2-pyridinyl)-3-pyrrolidinyl]-3-phenyl-SCHEMBL12124637DTXSID40459977N-[1-(3-NITROPYRIDIN-2-YL)PYRROLIDIN-3-YL]-3-PHENYLPROP-2-YNAMIDEL023640
Database identifiers
- CAS
833452-24-7- PubChem CID
- 11244597
- DTXSID
DTXSID40459977
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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