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

C14H18N4O4 — CID 46961343

IUPAC2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C14H18N4O4/c1-9(13(19)16-5-7-21-2)18-14(20)10(15)8-11(17-18)12-4-3-6-22-12/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyPFIOMKAJBQWUIV-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.41
Rot. Bonds6

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

2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 46961343) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID46961343
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)n1nc(-c2ccco2)cc(N)c1=O
InChIInChI=1S/C14H18N4O4/c1-9(13(19)16-5-7-21-2)18-14(20)10(15)8-11(17-18)12-4-3-6-22-12/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19)
InChIKeyPFIOMKAJBQWUIV-UHFFFAOYSA-N
XLogP0.41
TPSA112.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.41
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

(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 6371505
N'-[(E)-furan-2-ylmethylideneamino]-N-propan-2-yloxamide
CID 5335357
N-[1-Furan-2-yl-eth-(Z)-ylidene-hydrazinocarbonylmethyl]-2-phenoxy-acetamide
CID 6373781
2-(2-fluorophenoxy)-N-(3-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)propyl)propanamide
CID 44116367
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
2,2,2-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
N,N-diethyl-5-(2-furyl)-2-methyl-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 22515311
2-(2-fluorophenoxy)-N-(2-(3-(furan-2-yl)-6-oxopyridazin-1(6H)-yl)ethyl)acetamide
CID 25816719
2-(4-fluorophenoxy)-N-{3-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]propyl}acetamide
CID 25882239
2-[5-amino-3-(2,5-dimethylfuran-3-yl)-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
CID 46961152

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide (CID 46961343) is 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=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-(2-methoxyethyl)propanamide?
The InChIKey is PFIOMKAJBQWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-9(13(19)16-5-7-21-2)18-14(20)10(15)8-11(17-18)12-4-3-6-22-12/h3-4,6,8-9H,5,7,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 306.32 g/mol, XLogP of 0.41, 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-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 46961343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).