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

C18H16N4O5 — CID 121076257

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
SMILESCC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H16N4O5/c1-18(2,17(24)19-12-5-3-6-13(11-12)22(25)26)21-16(23)9-8-14(20-21)15-7-4-10-27-15/h3-11H,1-2H3,(H,19,24)
InChIKeyOTAZFXJBQMMLRS-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.79
Rot. Bonds5

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

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide (PubChem CID 121076257) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
PubChem CID121076257
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
SMILESCC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H16N4O5/c1-18(2,17(24)19-12-5-3-6-13(11-12)22(25)26)21-16(23)9-8-14(20-21)15-7-4-10-27-15/h3-11H,1-2H3,(H,19,24)
InChIKeyOTAZFXJBQMMLRS-UHFFFAOYSA-N
XLogP2.79
TPSA120.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-methylsulfanylphenyl)propanamide
CID 121076395
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076332
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076255
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 121076381
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
N-(3-nitrophenyl)-2,2-diphenylpropanamide
CID 766973
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)propanamide
CID 2706362
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
ethane;N-(3-nitrophenyl)acetamide
CID 90876834

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide (CID 121076257) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide is CC(C)(C(=O)Nc1cccc([N+](=O)[O-])c1)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide?
The InChIKey is OTAZFXJBQMMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-18(2,17(24)19-12-5-3-6-13(11-12)22(25)26)21-16(23)9-8-14(20-21)15-7-4-10-27-15/h3-11H,1-2H3,(H,19,24).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide has a molecular weight of 368.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-nitrophenyl)propanamide is sourced from PubChem (CID 121076257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).