Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(N2CCC(=CC#Cc3cccc(C)n3)CC2)c1- InChIKey
OJMYCYWSXGQYPW-UHFFFAOYSA-N- Molecular formula
- C21H21N3O2
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.16337692
Names & identifiers
- Preferred name
- 2-Methyl-6-{3-[1-(5-methyl-2-nitrophenyl)piperidin-4-ylidene]prop-1-ynyl}pyridine
- IUPAC
- 2-methyl-6-[3-[1-(5-methyl-2-nitrophenyl)piperidin-4-ylidene]prop-1-ynyl]pyridine
Names & synonyms
SCHEMBL3640764OJMYCYWSXGQYPW-UHFFFAOYSA-N2-methyl-6-{3-[1-(5-methyl-2-nitrophenyl)piperidin-4-ylidene]prop-1-ynyl}pyridine
Database identifiers
- PubChem CID
- 87550397
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 587
Related reactions
1 records
Compound notes
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