N-(5-chloropyridin-2-yl)-4-hydroxymethyl-2-[(1-Boc-piperidin-4-ylmethyl)amino]benzamide
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(CNc2cc(CO)ccc2C(=O)Nc2ccc(Cl)cn2)CC1- InChIKey
OIGWCZIUJVHESG-UHFFFAOYSA-N- Molecular formula
- C24H31ClN4O4
- Average molar mass
- 475 g/mol
- Monoisotopic mass
- 474.2033832
Names & identifiers
- Preferred name
- N-(5-chloropyridin-2-yl)-4-hydroxymethyl-2-[(1-Boc-piperidin-4-ylmethyl)amino]benzamide
- IUPAC
- tert-butyl 4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-(hydroxymethyl)anilino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL6106836OIGWCZIUJVHESG-UHFFFAOYSA-NN-(5-chloropyridin-2-yl)-4-hydroxymethyl-2-[(1-Boc-piperidin-4-ylmethyl)amino]benzamide
Database identifiers
- PubChem CID
- 21906512
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 651
Related reactions
8 records
Compound notes
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