3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide

C23H25N5O4 — CID 130203048

IUPAC3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
SMILESCCOCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1
InChIInChI=1S/C23H25N5O4/c1-2-30-11-12-31-19-6-3-5-17(13-19)18-8-9-22(24-14-18)32-20-15-28(16-20)23(29)26-21-7-4-10-25-27-21/h3-10,13-14,20H,2,11-12,15-16H2,1H3,(H,26,27,29)
InChIKeyUIWJZBXBKVABSS-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.25
Rot. Bonds9

About 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide

3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide (PubChem CID 130203048) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
PubChem CID130203048
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide
SMILESCCOCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1
InChIInChI=1S/C23H25N5O4/c1-2-30-11-12-31-19-6-3-5-17(13-19)18-8-9-22(24-14-18)32-20-15-28(16-20)23(29)26-21-7-4-10-25-27-21/h3-10,13-14,20H,2,11-12,15-16H2,1H3,(H,26,27,29)
InChIKeyUIWJZBXBKVABSS-UHFFFAOYSA-N
XLogP3.25
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide?
The IUPAC name of 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide (CID 130203048) is 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide.
What is the SMILES notation for 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide?
The canonical SMILES for 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide is CCOCCOc1cccc(-c2ccc(OC3CN(C(=O)Nc4cccnn4)C3)nc2)c1.
What is the InChIKey of 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide?
The InChIKey is UIWJZBXBKVABSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-2-30-11-12-31-19-6-3-5-17(13-19)18-8-9-22(24-14-18)32-20-15-28(16-20)23(29)26-21-7-4-10-25-27-21/h3-10,13-14,20H,2,11-12,15-16H2,1H3,(H,26,27,29).
What are the key properties of 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide?
3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(2-ethoxyethoxy)phenyl]-2-pyridinyl]oxy]-N-pyridazin-3-ylazetidine-1-carboxamide is sourced from PubChem (CID 130203048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).