tert-Butyl 3-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yloxy)azetidine-1-carboxylate

HCID 58043697

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cn1cc(Br)cc(Nc2ccc(OC3CN(C(=O)OC(C)(C)C)C3)cn2)c1=O
InChIKey: UTJNDRVWFDBDKX-UHFFFAOYSA-N
Molecular formula: C19H23BrN4O4
Average molar mass: 451.3 g/mol

Names & identifiers

Preferred name: tert-Butyl 3-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yloxy)azetidine-1-carboxylate
IUPAC: tert-butyl 3-[[6-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]-3-pyridinyl]oxy]azetidine-1-carboxylate

Names & synonyms

1346674-73-4SCHEMBL10256055SCHEMBL30512276UTJNDRVWFDBDKX-UHFFFAOYSA-NDA-45852tert-Butyl 3-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yloxy)azetidine-1-carboxylate

Database identifiers

PubChem CID: 58043697

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 682

Related reactions

12 records

New reaction record

HRID 92916As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 592869As productuspto-grants-2016_01

HRID 592870As reactantuspto-grants-2016_01

HRID 669483As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 810989As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1021938As productuspto-grants-2014_05

HRID 1021939As reactantuspto-grants-2014_05

HRID 1411808As productuspto-grants-2014_12

Compound notes

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