4-{2-[(1-Methylcarbamoyl-cyclohexylmethyl)-amino]-benzooxazol-6-yloxy}-pyridine-2-carboxylic acid methylamide
Basic information
- Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(NCC4(C(=O)NC)CCCCC4)oc3c2)ccn1- InChIKey
HQUPUGHIMKIUIR-UHFFFAOYSA-N- Molecular formula
- C23H27N5O4
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 4-{2-[(1-Methylcarbamoyl-cyclohexylmethyl)-amino]-benzooxazol-6-yloxy}-pyridine-2-carboxylic acid methylamide
- IUPAC
- N-methyl-4-[[2-[[1-(methylcarbamoyl)cyclohexyl]methylamino]-1,3-benzoxazol-6-yl]oxy]pyridine-2-carboxamide
Names & synonyms
SCHEMBL2678138HQUPUGHIMKIUIR-UHFFFAOYSA-N4-{2-[(1-Methylcarbamoyl-cyclohexylmethyl)-amino]-benzooxazol-6-yloxy}-pyridine-2-carboxylic acid methylamide
Database identifiers
- PubChem CID
- 57725494
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 656
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Related reactions
3 records
Compound notes
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