2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide

C15H20N4O4 — CID 46961350

IUPAC2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20)
InChIKeyGXAVJJDQAAKSMN-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.80
Rot. Bonds7

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

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 46961350) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID46961350
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20)
InChIKeyGXAVJJDQAAKSMN-UHFFFAOYSA-N
XLogP0.80
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 46961350) is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)n1nc(-c2ccco2)cc(N)c1=O.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is GXAVJJDQAAKSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(14(20)17-6-4-7-22-2)19-15(21)11(16)9-12(18-19)13-5-3-8-23-13/h3,5,8-10H,4,6-7,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 0.80, 7 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 46961350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).