N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

C21H19N3O4 — CID 7662710

IUPACN-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H19N3O4/c1-14(25)15-7-9-16(10-8-15)22-20(26)13-24-21(27)12-11-18(23-24)17-5-3-4-6-19(17)28-2/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyQZEJUGZUFRIOCY-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.76
Rot. Bonds6

About N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7662710) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7662710
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)n1
InChIInChI=1S/C21H19N3O4/c1-14(25)15-7-9-16(10-8-15)22-20(26)13-24-21(27)12-11-18(23-24)17-5-3-4-6-19(17)28-2/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyQZEJUGZUFRIOCY-UHFFFAOYSA-N
XLogP2.76
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7662710) is N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccccc1-c1ccc(=O)n(CC(=O)Nc2ccc(C(C)=O)cc2)n1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QZEJUGZUFRIOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(25)15-7-9-16(10-8-15)22-20(26)13-24-21(27)12-11-18(23-24)17-5-3-4-6-19(17)28-2/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7662710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).