4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide

C23H24FN3O4 — CID 16885424

IUPAC4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC
InChIInChI=1S/C23H24FN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28)
InChIKeyPEVSHRZHDIFOON-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.79
Rot. Bonds8

About 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide

4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide (PubChem CID 16885424) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide
PubChem CID16885424
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Name4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC
InChIInChI=1S/C23H24FN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28)
InChIKeyPEVSHRZHDIFOON-UHFFFAOYSA-N
XLogP3.79
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5386459
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 5286690
4-[3-(2,3-Dimethoxy-phenyl)-1-phenyl-allylidene]-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5725368
2-(4-{[1-(2-cyanoethyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)-N-phenylacetamide
CID 5889235
6-(3,4-Dimethoxyphenyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 11109680
2-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 9806981
4-(3,4-dimethoxyphenyl)-2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 9956462
4-(3,4-dimethoxyphenyl)-2-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11826581
5-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 17253733
4-(3,4-Dimethoxyphenyl)-2-phenyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 11783406
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3224491
N-Cyclopropyl-4-{2-[3-(3,4-dimethoxy-phenyl)-6-oxo-6H-pyridazin-1-yl]-acetylamino}-benzamide
CID 3224556

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The IUPAC name of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide (CID 16885424) is 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide.
What is the SMILES notation for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The canonical SMILES for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccc(C)c(F)c3)n2)cc1OC.
What is the InChIKey of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
The InChIKey is PEVSHRZHDIFOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-15-6-8-17(14-18(15)24)25-22(28)5-4-12-27-23(29)11-9-19(26-27)16-7-10-20(30-2)21(13-16)31-3/h6-11,13-14H,4-5,12H2,1-3H3,(H,25,28).
What are the key properties of 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide?
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide has a molecular weight of 425.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)butanamide is sourced from PubChem (CID 16885424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).