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

C20H18N4O4 — CID 51049093

IUPAC4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H18N4O4/c1-28-16-8-4-13(5-9-16)17-10-11-19(26)24(23-17)12-18(25)22-15-6-2-14(3-7-15)20(21)27/h2-11H,12H2,1H3,(H2,21,27)(H,22,25)
InChIKeyBBHCYJBVRCOVGI-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.66
Rot. Bonds6

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

4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (PubChem CID 51049093) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
PubChem CID51049093
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1
InChIInChI=1S/C20H18N4O4/c1-28-16-8-4-13(5-9-16)17-10-11-19(26)24(23-17)12-18(25)22-15-6-2-14(3-7-15)20(21)27/h2-11H,12H2,1H3,(H2,21,27)(H,22,25)
InChIKeyBBHCYJBVRCOVGI-UHFFFAOYSA-N
XLogP1.66
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 121050334
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 51048661
N-(4-methoxyphenyl)-2-[6-oxo-3-(3,4,5-trimethoxyphenyl)pyridazin-1-yl]acetamide
CID 41376671
ethyl 4-[[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7662139
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
methyl 4-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]benzoate
CID 7664191
ethyl 4-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 41376352

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide (CID 51049093) is 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(N)=O)cc3)n2)cc1.
What is the InChIKey of 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
The InChIKey is BBHCYJBVRCOVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-28-16-8-4-13(5-9-16)17-10-11-19(26)24(23-17)12-18(25)22-15-6-2-14(3-7-15)20(21)27/h2-11H,12H2,1H3,(H2,21,27)(H,22,25).
What are the key properties of 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide?
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide has a molecular weight of 378.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 51049093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).