N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide

C18H15N3O4 — CID 630769

IUPACN-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ccco2)nn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C18H15N3O4/c1-11-5-7-13(8-6-11)21-18(24)15(19-12(2)22)10-14(20-21)17(23)16-4-3-9-25-16/h3-10H,1-2H3,(H,19,22)
InChIKeyYBTXKTMVGWBPOW-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.32
Rot. Bonds4

About N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide

N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide (PubChem CID 630769) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
PubChem CID630769
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide
SMILESCC(=O)Nc1cc(C(=O)c2ccco2)nn(-c2ccc(C)cc2)c1=O
InChIInChI=1S/C18H15N3O4/c1-11-5-7-13(8-6-11)21-18(24)15(19-12(2)22)10-14(20-21)17(23)16-4-3-9-25-16/h3-10H,1-2H3,(H,19,22)
InChIKeyYBTXKTMVGWBPOW-UHFFFAOYSA-N
XLogP2.32
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide?
The IUPAC name of N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide (CID 630769) is N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide?
The canonical SMILES for N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide is CC(=O)Nc1cc(C(=O)c2ccco2)nn(-c2ccc(C)cc2)c1=O.
What is the InChIKey of N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide?
The InChIKey is YBTXKTMVGWBPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-5-7-13(8-6-11)21-18(24)15(19-12(2)22)10-14(20-21)17(23)16-4-3-9-25-16/h3-10H,1-2H3,(H,19,22).
What are the key properties of N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide?
N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-carbonyl)-2-(4-methylphenyl)-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 630769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).