Basic information
- Standard SMILES
C=CCCC(NC(C)=O)(C(=O)NC(C)(C)C)C1CCN(c2ccc(Cl)cn2)CC1- InChIKey
XUZJUMUUYYNUMO-UHFFFAOYSA-N- Molecular formula
- C22H33ClN4O2
- Average molar mass
- 421 g/mol
Names & identifiers
- Preferred name
- 2-Acetylamino-2-(5'-Chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-hex-5-enoic acid, tert-butylamide
- IUPAC
- 2-acetamido-N-tert-butyl-2-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]hex-5-enamide
Names & synonyms
SCHEMBL10207446XUZJUMUUYYNUMO-UHFFFAOYSA-N2-Acetylamino-2-(5'-Chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-yl)-hex-5-enoic acid, tert-butylamide2-acetylamino-2-(5'-chloro-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-hex-5-enoic acid, tert-butylamide
Database identifiers
- PubChem CID
- 68064307
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 584
Related reactions
2 records
Compound notes
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