2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide

C22H22N4O4 — CID 16885167

IUPAC2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)18-12-13-21(28)26(25-18)14-4-7-20(27)24-19-6-3-2-5-17(19)22(23)29/h2-3,5-6,8-13H,4,7,14H2,1H3,(H2,23,29)(H,24,27)
InChIKeyXGMACILYZDPJQX-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.44
Rot. Bonds8

About 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide

2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide (PubChem CID 16885167) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide.

Molecular Properties

Compound Name2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
PubChem CID16885167
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1
InChIInChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)18-12-13-21(28)26(25-18)14-4-7-20(27)24-19-6-3-2-5-17(19)22(23)29/h2-3,5-6,8-13H,4,7,14H2,1H3,(H2,23,29)(H,24,27)
InChIKeyXGMACILYZDPJQX-UHFFFAOYSA-N
XLogP2.44
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
N-(5-acetamido-2-methoxyphenyl)-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885171
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 16885105
N-(2-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885406
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 16885051
N-(2-fluorophenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885211
N-[(2-chlorophenyl)methyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885126
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-methyl-6-nitrophenyl)butanamide
CID 16885159
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenoxyphenyl)butanamide
CID 16885465
N-(2,3-dimethylphenyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885730
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-nitrophenyl)butanamide
CID 16885379
N-(2,4-dimethylphenyl)-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885266

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The IUPAC name of 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide (CID 16885167) is 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide.
What is the SMILES notation for 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The canonical SMILES for 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3C(N)=O)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
The InChIKey is XGMACILYZDPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-16-10-8-15(9-11-16)18-12-13-21(28)26(25-18)14-4-7-20(27)24-19-6-3-2-5-17(19)22(23)29/h2-3,5-6,8-13H,4,7,14H2,1H3,(H2,23,29)(H,24,27).
What are the key properties of 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide?
2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide has a molecular weight of 406.44 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide is sourced from PubChem (CID 16885167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).