N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide

C20H17N3O4 — CID 632426

IUPACN-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide
SMILESCOc1ccc(-n2nc(C(=O)c3ccccc3)cc(NC(C)=O)c2=O)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)21-18-12-17(19(25)14-6-4-3-5-7-14)22-23(20(18)26)15-8-10-16(27-2)11-9-15/h3-12H,1-2H3,(H,21,24)
InChIKeyNYKSTZXFJQGXHT-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.43
Rot. Bonds5

About N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide

N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide (PubChem CID 632426) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide
PubChem CID632426
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide
SMILESCOc1ccc(-n2nc(C(=O)c3ccccc3)cc(NC(C)=O)c2=O)cc1
InChIInChI=1S/C20H17N3O4/c1-13(24)21-18-12-17(19(25)14-6-4-3-5-7-14)22-23(20(18)26)15-8-10-16(27-2)11-9-15/h3-12H,1-2H3,(H,21,24)
InChIKeyNYKSTZXFJQGXHT-UHFFFAOYSA-N
XLogP2.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-[4-[5-benzamido-6-oxo-1-[4-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]phenoxy]benzoyl]-3-oxo-2-[4-(trifluoromethyl)phenyl]pyridazin-4-yl]benzamide
CID 139230140
N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
CID 630769
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
2-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 139010435
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-(6-methoxy-1-methyl-2-oxoquinolin-3-yl)benzamide
CID 101228890
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
3-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120524985
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604

Frequently Asked Questions

What is the IUPAC name of N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide?
The IUPAC name of N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide (CID 632426) is N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide?
The canonical SMILES for N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide is COc1ccc(-n2nc(C(=O)c3ccccc3)cc(NC(C)=O)c2=O)cc1.
What is the InChIKey of N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide?
The InChIKey is NYKSTZXFJQGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13(24)21-18-12-17(19(25)14-6-4-3-5-7-14)22-23(20(18)26)15-8-10-16(27-2)11-9-15/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide?
N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide has a molecular weight of 363.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzoyl-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 632426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).