N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide

C13H15N3O4 — CID 41246640

IUPACN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOc1ccc(-c2ccco2)nn1
InChIInChI=1S/C13H15N3O4/c1-18-9-12(17)14-6-8-20-13-5-4-10(15-16-13)11-3-2-7-19-11/h2-5,7H,6,8-9H2,1H3,(H,14,17)
InChIKeyZEFGCPUGQBYOCY-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.88
Rot. Bonds7

About N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide

N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide (PubChem CID 41246640) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide
PubChem CID41246640
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCOc1ccc(-c2ccco2)nn1
InChIInChI=1S/C13H15N3O4/c1-18-9-12(17)14-6-8-20-13-5-4-10(15-16-13)11-3-2-7-19-11/h2-5,7H,6,8-9H2,1H3,(H,14,17)
InChIKeyZEFGCPUGQBYOCY-UHFFFAOYSA-N
XLogP0.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide (CID 41246640) is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide is COCC(=O)NCCOc1ccc(-c2ccco2)nn1.
What is the InChIKey of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide?
The InChIKey is ZEFGCPUGQBYOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-18-9-12(17)14-6-8-20-13-5-4-10(15-16-13)11-3-2-7-19-11/h2-5,7H,6,8-9H2,1H3,(H,14,17).
What are the key properties of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide?
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide has a molecular weight of 277.28 g/mol, XLogP of 0.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-2-methoxyacetamide is sourced from PubChem (CID 41246640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).