2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide

C15H20N4O4 — CID 46961632

IUPAC2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1nc(-c2ccc(C)o2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-9-4-5-13(23-9)12-8-11(16)15(21)19(18-12)10(2)14(20)17-6-7-22-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,20)
InChIKeyLJDOBLXRFOQEJG-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.72
Rot. Bonds6

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

2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 46961632) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID46961632
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1nc(-c2ccc(C)o2)cc(N)c1=O
InChIInChI=1S/C15H20N4O4/c1-9-4-5-13(23-9)12-8-11(16)15(21)19(18-12)10(2)14(20)17-6-7-22-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,20)
InChIKeyLJDOBLXRFOQEJG-UHFFFAOYSA-N
XLogP0.72
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.72
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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Related Compounds

N-[1-Furan-2-yl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-2-phenoxy-acetamide
CID 6373781
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclohexylacetamide
CID 16676518
4-Amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-(5-methylfuran-2-yl)pyridazin-3-one
CID 16676621
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16676651
2,2,2-trifluoro-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 16905497
5-(2-Furyl)-2-methyl-N-(tetrahydro-2-furanylmethyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515292
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 46961152
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 46961343
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 46961350
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
CID 46961636
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-propylpropanamide
CID 46961638
2-[5-Amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 75679857

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (CID 46961632) is 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)n1nc(-c2ccc(C)o2)cc(N)c1=O.
What is the InChIKey of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is LJDOBLXRFOQEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9-4-5-13(23-9)12-8-11(16)15(21)19(18-12)10(2)14(20)17-6-7-22-3/h4-5,8,10H,6-7,16H2,1-3H3,(H,17,20).
What are the key properties of 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 320.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(5-methylfuran-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 46961632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).