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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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).