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

C13H13N3O3 — CID 6852084

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O3/c1-19-10-4-2-9(3-5-10)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyDRGMRKLSNJZSRE-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.40
Rot. Bonds4

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

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 6852084) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID6852084
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C13H13N3O3/c1-19-10-4-2-9(3-5-10)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17)
InChIKeyDRGMRKLSNJZSRE-UHFFFAOYSA-N
XLogP0.40
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 6852084) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is COc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is DRGMRKLSNJZSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-10-4-2-9(3-5-10)11-6-7-13(18)16(15-11)8-12(14)17/h2-7H,8H2,1H3,(H2,14,17).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 259.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 6852084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).