N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide

C17H15N3O4 — CID 71821580

IUPACN-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1ccc(-n2ccn(CC(=O)Nc3ccco3)c(=O)c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-12-4-6-13(7-5-12)20-9-8-19(16(22)17(20)23)11-14(21)18-15-3-2-10-24-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyYMZNZOPTJDYFHA-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.54
Rot. Bonds4

About N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide

N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (PubChem CID 71821580) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
PubChem CID71821580
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC NameN-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
SMILESCc1ccc(-n2ccn(CC(=O)Nc3ccco3)c(=O)c2=O)cc1
InChIInChI=1S/C17H15N3O4/c1-12-4-6-13(7-5-12)20-9-8-19(16(22)17(20)23)11-14(21)18-15-3-2-10-24-15/h2-10H,11H2,1H3,(H,18,21)
InChIKeyYMZNZOPTJDYFHA-UHFFFAOYSA-N
XLogP1.54
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The IUPAC name of N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide (CID 71821580) is N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is Cc1ccc(-n2ccn(CC(=O)Nc3ccco3)c(=O)c2=O)cc1.
What is the InChIKey of N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
The InChIKey is YMZNZOPTJDYFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-12-4-6-13(7-5-12)20-9-8-19(16(22)17(20)23)11-14(21)18-15-3-2-10-24-15/h2-10H,11H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide?
N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide has a molecular weight of 325.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-2-[4-(4-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide is sourced from PubChem (CID 71821580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).