6-Cyclopropylmethoxy-5-(3,3-difluoro-pyrrolidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide

HCID 71093604

Basic information

Standard SMILES
CCC(CC)(NC(=O)c1ccc(N2CCC(F)(F)C2)c(OCC2CC2)n1)C(=O)NC
InChIKey
PNKMGWWBPULYAC-UHFFFAOYSA-N
Molecular formula
C21H30F2N4O3
Average molar mass
424.5 g/mol
Monoisotopic mass
424.22859716

Names & identifiers

Preferred name
6-Cyclopropylmethoxy-5-(3,3-difluoro-pyrrolidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amide
IUPAC
6-(cyclopropylmethoxy)-5-(3,3-difluoropyrrolidin-1-yl)-N-[3-(methylcarbamoyl)pentan-3-yl]pyridine-2-carboxamide

Names & synonyms

6-Cyclopropylmethoxy-5-(3,3-difluoro-pyrrolidin-1-yl)-pyridine-2-carboxylic acid (1-ethyl-1-methylcarbamoyl-propyl)-amideCHEMBL3917914SCHEMBL14167421BDBM210302US9290451, 78

Database identifiers

PubChem CID
71093604
ChEMBL
CHEMBL3917914

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
83.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

Related reactions

3 records

Compound notes

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