6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-methyl-5-oxo-pyrrolidin-3-yl)-amide

HCID 71105693

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CC(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)CC1=O
InChIKey: QMJXTQGAOJVGOF-UHFFFAOYSA-N
Molecular formula: C18H22F2N4O3
Average molar mass: 380.4 g/mol
Monoisotopic mass: 380.1659969

Names & identifiers

Preferred name: 6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-methyl-5-oxo-pyrrolidin-3-yl)-amide
IUPAC: 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)pyridine-2-carboxamide

Names & synonyms

6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid (1-methyl-5-oxo-pyrrolidin-3-yl)-amideCHEMBL3947093SCHEMBL14226340BDBM210599US9290451, 290

Database identifiers

PubChem CID: 71105693
ChEMBL: CHEMBL3947093

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 27
Formal charge: 0
Complexity: 593

Related reactions

3 records

New reaction record

HRID 162332As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 632350As productuspto-grants-2016_04

HRID 927736As productuspto-grants-2016_03

Compound notes

Loading…