Basic information
- Standard SMILES
Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(N3CCN(C)CC3)c2)c1- InChIKey
YIJOXPDJOGSTOZ-UHFFFAOYSA-N- Molecular formula
- C25H29N5OS
- Average molar mass
- 447.6 g/mol
Names & identifiers
- Preferred name
- N-(3,5-Dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-ylmethylthio]pyridine-3-carboxamide
- IUPAC
- N-(3,5-dimethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methylsulfanyl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL1941128YIJOXPDJOGSTOZ-UHFFFAOYSA-NN-(3,5-Dimethylphenyl)-2-[2-(4-methylpiperazin-1-yl)pyridin-4-ylmethylthio]pyridine-3-carboxamide
Database identifiers
- PubChem CID
- 11201713
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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