Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide (HCID 10347698)|Huagongshe
Home
/
Compound
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
HCID
10347698
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)c(Br)c2)cc1Nc1nccc(-c2cccnc2)n1
InChIKey
UQPQECRXZOMKLK-UHFFFAOYSA-N
Molecular formula
C29H29BrN6O
Average molar mass
557.5 g/mol
Monoisotopic mass
556.15862
Names & identifiers
Preferred name
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
IUPAC
3-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
Names & synonyms
SCHEMBL3561315
Database identifiers
PubChem CID
10347698
Properties
Computed structural properties
XLogP
5.2
Topological polar surface area
83 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
37
Formal charge
0
Complexity
721
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
108035
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
Loading…