2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide

C19H21N5O4 — CID 121076436

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
SMILESCC(C)(C(=O)NCCCn1ncccc1=O)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-19(2,18(27)20-10-5-12-23-16(25)7-3-11-21-23)24-17(26)9-8-14(22-24)15-6-4-13-28-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,20,27)
InChIKeyZHBVFQVDCZIZED-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.00
Rot. Bonds7

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide (PubChem CID 121076436) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
PubChem CID121076436
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
SMILESCC(C)(C(=O)NCCCn1ncccc1=O)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H21N5O4/c1-19(2,18(27)20-10-5-12-23-16(25)7-3-11-21-23)24-17(26)9-8-14(22-24)15-6-4-13-28-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,20,27)
InChIKeyZHBVFQVDCZIZED-UHFFFAOYSA-N
XLogP1.00
TPSA112.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 52906564
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
N-(4-anilinophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076379
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076428
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-methylsulfanylphenyl)propanamide
CID 121076395
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076426
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076255

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide (CID 121076436) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide is CC(C)(C(=O)NCCCn1ncccc1=O)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
The InChIKey is ZHBVFQVDCZIZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-19(2,18(27)20-10-5-12-23-16(25)7-3-11-21-23)24-17(26)9-8-14(22-24)15-6-4-13-28-15/h3-4,6-9,11,13H,5,10,12H2,1-2H3,(H,20,27).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide has a molecular weight of 383.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide is sourced from PubChem (CID 121076436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).