5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide

C13H9N3O4 — CID 143568233

IUPAC5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)o1
InChIInChI=1S/C13H9N3O4/c14-9-5-4-8(20-9)12(18)15-7-3-1-2-6-10(7)13(19)16-11(6)17/h1-5H,14H2,(H,15,18)(H,16,17,19)
InChIKeyXWQDVGPBQZITAC-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.00
Rot. Bonds2

About 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide

5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide (PubChem CID 143568233) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
PubChem CID143568233
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide
SMILESNc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)o1
InChIInChI=1S/C13H9N3O4/c14-9-5-4-8(20-9)12(18)15-7-3-1-2-6-10(7)13(19)16-11(6)17/h1-5H,14H2,(H,15,18)(H,16,17,19)
InChIKeyXWQDVGPBQZITAC-UHFFFAOYSA-N
XLogP1.00
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide?
The IUPAC name of 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide (CID 143568233) is 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide is Nc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)o1.
What is the InChIKey of 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide?
The InChIKey is XWQDVGPBQZITAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c14-9-5-4-8(20-9)12(18)15-7-3-1-2-6-10(7)13(19)16-11(6)17/h1-5H,14H2,(H,15,18)(H,16,17,19).
What are the key properties of 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide?
5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide has a molecular weight of 271.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3-dioxoisoindol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 143568233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).