4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide

C21H20FN3O3 — CID 16884907

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-28-18-10-8-17(9-11-18)23-20(26)3-2-14-25-21(27)13-12-19(24-25)15-4-6-16(22)7-5-15/h4-13H,2-3,14H2,1H3,(H,23,26)
InChIKeyCKSYNPJFXCNHJJ-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.48
Rot. Bonds7

About 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide (PubChem CID 16884907) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide
PubChem CID16884907
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C21H20FN3O3/c1-28-18-10-8-17(9-11-18)23-20(26)3-2-14-25-21(27)13-12-19(24-25)15-4-6-16(22)7-5-15/h4-13H,2-3,14H2,1H3,(H,23,26)
InChIKeyCKSYNPJFXCNHJJ-UHFFFAOYSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide (CID 16884907) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide?
The InChIKey is CKSYNPJFXCNHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-28-18-10-8-17(9-11-18)23-20(26)3-2-14-25-21(27)13-12-19(24-25)15-4-6-16(22)7-5-15/h4-13H,2-3,14H2,1H3,(H,23,26).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide has a molecular weight of 381.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 16884907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).