5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide

HCID 76281995
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Basic information

Standard SMILES
NC(=O)[C@H](CC1CC1)NC(=O)c1cc(OCC2CC2)c(Cl)cn1
InChIKey
QSBPVKJVOUTDFE-LBPRGKRZSA-N
Molecular formula
C16H20ClN3O3
Average molar mass
337.8 g/mol
Monoisotopic mass
337.1193192

Names & identifiers

Preferred name
5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide
IUPAC
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-chloro-4-(cyclopropylmethoxy)pyridine-2-carboxamide

Names & synonyms

CHEMBL3916285SCHEMBL15790147QSBPVKJVOUTDFE-LBPRGKRZSA-NBDBM240289US9409866, 45-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide

Database identifiers

PubChem CID
76281995
ChEMBL
CHEMBL3916285

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
94.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
23

Related reactions

1 records
New reaction record

Compound notes

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5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid ((S)-1-carbamoyl-2-cyclopropyl-ethyl)-amide (HCID 76281995)｜Huagongshe