2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide

C15H17FN4O2 — CID 113039451

IUPAC2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
SMILESCOCCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1
InChIInChI=1S/C15H17FN4O2/c1-22-8-7-17-13-5-6-14(20-19-13)18-15(21)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyIGVALXLIJZOBGJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.86
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide

2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide (PubChem CID 113039451) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
PubChem CID113039451
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
SMILESCOCCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1
InChIInChI=1S/C15H17FN4O2/c1-22-8-7-17-13-5-6-14(20-19-13)18-15(21)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyIGVALXLIJZOBGJ-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113039942
2-(2-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide
CID 113039450
2-(3-fluorophenyl)-N-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041483
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
2-(4-fluorophenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010349
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
2-(4-methoxyphenyl)-N-[6-(3-methoxypropylamino)pyridazin-3-yl]acetamide
CID 113039555
2-(3-fluorophenyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712162
2-(3-fluorophenyl)-N-(6-piperidin-1-ylpyridazin-3-yl)acetamide
CID 113038996
4-tert-butyl-N-[6-(2-methoxyethylamino)pyridazin-3-yl]benzamide
CID 113039421
2-(4-fluorophenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037819
2-(3-fluorophenyl)-N-(6-fluoro-2-pyridinyl)acetamide
CID 104820790

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide (CID 113039451) is 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide is COCCNc1ccc(NC(=O)Cc2cccc(F)c2)nn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide?
The InChIKey is IGVALXLIJZOBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-22-8-7-17-13-5-6-14(20-19-13)18-15(21)10-11-3-2-4-12(16)9-11/h2-6,9H,7-8,10H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide?
2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[6-(2-methoxyethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).