N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C18H15N3O4 — CID 7447426

IUPACN-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C18H15N3O4/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-21-18(24)9-8-15(20-21)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyKJYNBYCRFJPVTH-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.34
Rot. Bonds5

About N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 7447426) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID7447426
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C18H15N3O4/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-21-18(24)9-8-15(20-21)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23)
InChIKeyKJYNBYCRFJPVTH-UHFFFAOYSA-N
XLogP2.34
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 7447426) is N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is KJYNBYCRFJPVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-12(22)13-4-6-14(7-5-13)19-17(23)11-21-18(24)9-8-15(20-21)16-3-2-10-25-16/h2-10H,11H2,1H3,(H,19,23).
What are the key properties of N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 7447426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).