2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C15H14N4O4 — CID 16676490

IUPAC2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(-c2ccco2)nn(CC(=O)NCc2ccco2)c1=O
InChIInChI=1S/C15H14N4O4/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h1-7H,8-9,16H2,(H,17,20)
InChIKeyZGUVKKPPVLYDSE-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.99
Rot. Bonds5

About 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 16676490) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID16676490
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESNc1cc(-c2ccco2)nn(CC(=O)NCc2ccco2)c1=O
InChIInChI=1S/C15H14N4O4/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h1-7H,8-9,16H2,(H,17,20)
InChIKeyZGUVKKPPVLYDSE-UHFFFAOYSA-N
XLogP0.99
TPSA116.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 16676490) is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide is Nc1cc(-c2ccco2)nn(CC(=O)NCc2ccco2)c1=O.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ZGUVKKPPVLYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c16-11-7-12(13-4-2-6-23-13)18-19(15(11)21)9-14(20)17-8-10-3-1-5-22-10/h1-7H,8-9,16H2,(H,17,20).
What are the key properties of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 314.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 16676490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).