4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide

C22H22FN3O3 — CID 16884970

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H22FN3O3/c1-29-20-6-3-2-5-17(20)15-24-21(27)7-4-14-26-22(28)13-12-19(25-26)16-8-10-18(23)11-9-16/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27)
InChIKeyPIFFGRUGMCXZKU-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.15
Rot. Bonds8

About 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide (PubChem CID 16884970) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide
PubChem CID16884970
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide
SMILESCOc1ccccc1CNC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C22H22FN3O3/c1-29-20-6-3-2-5-17(20)15-24-21(27)7-4-14-26-22(28)13-12-19(25-26)16-8-10-18(23)11-9-16/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27)
InChIKeyPIFFGRUGMCXZKU-UHFFFAOYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
N-formyl-5-(-2'-methoxyphenyl)-3-phenylpyrazoline (1e)
CID 84973176
3-[(2-Methoxy-benzoyl)-hydrazono]-N-(4-methoxy-benzyl)-butyramide
CID 9591923
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]cyclohexanecarboxamide
CID 1502193
N-(4-methoxybenzyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3236385
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(3,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369356
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431
2-[(2,4-Difluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369449
1-[5-(2,5-Difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-4-(methylamino)butan-1-one
CID 58274649
2-benzyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475387

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide (CID 16884970) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide is COc1ccccc1CNC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
The InChIKey is PIFFGRUGMCXZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-29-20-6-3-2-5-17(20)15-24-21(27)7-4-14-26-22(28)13-12-19(25-26)16-8-10-18(23)11-9-16/h2-3,5-6,8-13H,4,7,14-15H2,1H3,(H,24,27).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(2-methoxyphenyl)methyl]butanamide has a molecular weight of 395.43 g/mol, XLogP of 3.15, 8 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-[(2-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 16884970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).