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

C14H15N3O3 — CID 7660186

IUPAC2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)12-7-8-14(19)17(16-12)9-13(15)18/h3-8H,2,9H2,1H3,(H2,15,18)
InChIKeyGVSVDVQGNGWHHC-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.79
Rot. Bonds5

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

2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7660186) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7660186
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCOc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)12-7-8-14(19)17(16-12)9-13(15)18/h3-8H,2,9H2,1H3,(H2,15,18)
InChIKeyGVSVDVQGNGWHHC-UHFFFAOYSA-N
XLogP0.79
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide (CID 7660186) is 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is CCOc1ccc(-c2ccc(=O)n(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is GVSVDVQGNGWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-11-5-3-10(4-6-11)12-7-8-14(19)17(16-12)9-13(15)18/h3-8H,2,9H2,1H3,(H2,15,18).
What are the key properties of 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide?
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7660186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).