2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide

C17H16N4O3 — CID 121076263

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccccn1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H16N4O3/c1-17(2,16(23)19-14-7-3-4-10-18-14)21-15(22)9-8-12(20-21)13-6-5-11-24-13/h3-11H,1-2H3,(H,18,19,23)
InChIKeyGOFZAGFKVURLFG-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.27
Rot. Bonds4

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide (PubChem CID 121076263) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
PubChem CID121076263
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
SMILESCC(C)(C(=O)Nc1ccccn1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C17H16N4O3/c1-17(2,16(23)19-14-7-3-4-10-18-14)21-15(22)9-8-12(20-21)13-6-5-11-24-13/h3-11H,1-2H3,(H,18,19,23)
InChIKeyGOFZAGFKVURLFG-UHFFFAOYSA-N
XLogP2.27
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-phenylphenyl)propanamide
CID 121076322
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
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
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
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-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121076436
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076332
3-(furan-2-yl)-1-methyl-N-pyridin-2-ylpyrazole-4-carboxamide
CID 167936800

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide (CID 121076263) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide is CC(C)(C(=O)Nc1ccccn1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide?
The InChIKey is GOFZAGFKVURLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-17(2,16(23)19-14-7-3-4-10-18-14)21-15(22)9-8-12(20-21)13-6-5-11-24-13/h3-11H,1-2H3,(H,18,19,23).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide has a molecular weight of 324.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 121076263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).