Basic information
- Standard SMILES
O=C(NCC1(O)CCCCC1)c1cc(OCC2CC2)c(Cl)cn1- InChIKey
WQTYHCUSVSTIOQ-UHFFFAOYSA-N- Molecular formula
- C17H23ClN2O3
- Average molar mass
- 338.8 g/mol
- Monoisotopic mass
- 338.1397203
Names & identifiers
- Preferred name
- 5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-hydroxy-cyclohexylmethyl)-amide
- IUPAC
- 5-chloro-4-(cyclopropylmethoxy)-N-[(1-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
Names & synonyms
CHEMBL3918005SCHEMBL15777142WQTYHCUSVSTIOQ-UHFFFAOYSA-NBDBM240290US9409866, 55-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-hydroxy-cyclohexylmethyl)-amide
Database identifiers
- PubChem CID
- 76281996
- ChEMBL
CHEMBL3918005
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 411
Related reactions
1 records
Compound notes
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