US10918640, Example 14

HCID 66710496
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cccnn1)N1CC(Oc2ccc(I)cn2)C1
InChIKey
XYZLQUMFZDMMFN-UHFFFAOYSA-N
Molecular formula
C13H12IN5O2
Average molar mass
397.17 g/mol

Names & identifiers

Preferred name
US10918640, Example 14
IUPAC
3-[(5-iodo-2-pyridinyl)oxy]-N-pyridazin-3-ylazetidine-1-carboxamide

Names & synonyms

SCHEMBL518476CHEMBL6007656XYZLQUMFZDMMFN-UHFFFAOYSA-NBDBM482174US10918640, Example 14US10918640, Example 183-(5-iodo-pyridin-2-yloxy)-azetidine-1-carboxylic acid pyridazin-3-ylamide

Database identifiers

PubChem CID
66710496
ChEMBL
CHEMBL6007656

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
80.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

16 records
New reaction record

Linked notes

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