N-(4-tert-Butylphenyl)-1-(pyrimidin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Basic information
- Standard SMILES
CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccn3)CC2)cc1- InChIKey
XHFVGGDHBWNXLS-UHFFFAOYSA-N- Molecular formula
- C20H24N4O
- Average molar mass
- 336.4 g/mol
Names & identifiers
- Preferred name
- N-(4-tert-Butylphenyl)-1-(pyrimidin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
- IUPAC
- N-(4-tert-butylphenyl)-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridine-4-carboxamide
Names & synonyms
CHEMBL491234XHFVGGDHBWNXLS-UHFFFAOYSA-NBDBM502646681-Pyrimidin-2-yl-1,2,3,6-tetrahydro-pyridine-4-carboxylic acid (4-tert-butyl-phenyl)-amideN-(4-tert-Butylphenyl)-1-(pyrimidin-2-yl)-1,2,3,6-tetrahydropyridine-4-carboxamide
Database identifiers
- PubChem CID
- 44580004
- ChEMBL
CHEMBL491234
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Related reactions
3 records
Compound notes
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