3-{3-[1-(6-Methyl-3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl}phenylacetamide
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Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3cccc(CC(N)=O)c3)CC2)n1- InChIKey
SXSUYEDAJBNYQQ-UHFFFAOYSA-N- Molecular formula
- C22H22N4O3
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- 3-{3-[1-(6-Methyl-3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl}phenylacetamide
- IUPAC
- 2-[3-[3-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-ylidene]prop-1-ynyl]phenyl]acetamide
Names & synonyms
SCHEMBL4264949SXSUYEDAJBNYQQ-UHFFFAOYSA-N3-{3-[1-(6-Methyl-3-nitropyridin-2-yl)piperidin-4-ylidene]prop-1-ynyl}phenylacetamide
Database identifiers
- PubChem CID
- 86627353
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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