N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
Basic information
- CAS
794537-28-3- Standard SMILES
CSc1ncccc1C(=O)NCC1CCCCC1- InChIKey
HTMBCOXHKJVSRZ-UHFFFAOYSA-N- Molecular formula
- C14H20N2OS
- Average molar mass
- 264.39 g/mol
- Monoisotopic mass
- 264.12963444
Names & identifiers
- Preferred name
- N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
- IUPAC
- N-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamide
Names & synonyms
794537-28-3N-(Cyclohexylmethyl)-2-(methylthio)nicotinamideN-(cyclohexylmethyl)-2-(methylsulfanyl)pyridine-3-carboxamideN-(cyclohexylmethyl)-2-methylsulfanylpyridine-3-carboxamidestarbld0003633MLS000771200CHEMBL1479580DTXSID901326537HMS1775K13HMS2701I06AKOS034440163SMR000376079
Show more names
AB00578918-02EN300-26582307SR-01000060432SR-01000060432-1Z54333590
Database identifiers
- CAS
794537-28-3- PubChem CID
- 2572037
- DTXSID
DTXSID901326537- ChEMBL
CHEMBL1479580
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Experimental & physicochemical properties
LogP2.93
Solubility38.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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