5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-hydroxymethyl-1,2-dimethyl-propyl)-amide

HCID 76282000
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Basic information

Standard SMILES
CC(C)[C@@](C)(CO)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
InChIKey
CLLVWEHNEANLDH-MRXNPFEDSA-N
Molecular formula
C16H23ClN2O3
Average molar mass
326.82 g/mol
Monoisotopic mass
326.1397203

Names & identifiers

Preferred name
5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-hydroxymethyl-1,2-dimethyl-propyl)-amide
IUPAC
5-chloro-4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide

Names & synonyms

CHEMBL4107372SCHEMBL15790184CLLVWEHNEANLDH-MRXNPFEDSA-NBDBM240295US9409866, 105-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-hydroxymethyl-1,2-dimethyl-propyl)-amide

Database identifiers

PubChem CID
76282000
ChEMBL
CHEMBL4107372

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
71.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Related reactions

1 records
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Compound notes

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