N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

C20H17N5O4 — CID 162146910

About N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide

N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (PubChem CID 162146910) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• PubChem CID: 162146910
• Molecular Formula: C20H17N5O4
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.13
• IUPAC Name: N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide
• SMILES: NC(=O)C(=O)C(Cc1coc2c1=CCC=2)NC(=O)c1cncn1-c1ccccn1
• InChI: InChI=1S/C20H17N5O4/c21-19(27)18(26)14(8-12-10-29-16-5-3-4-13(12)16)24-20(28)15-9-22-11-25(15)17-6-1-2-7-23-17/h1-2,4-7,9-11,14H,3,8H2,(H2,21,27)(H,24,28)
• InChIKey: ZKRFUZJEABSMDZ-UHFFFAOYSA-N
• XLogP: -0.78
• TPSA: 133.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	-0.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The IUPAC name of N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide (CID 162146910) is N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide.

What is the SMILES notation for N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The canonical SMILES for N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is NC(=O)C(=O)C(Cc1coc2c1=CCC=2)NC(=O)c1cncn1-c1ccccn1.

What is the InChIKey of N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

The InChIKey is ZKRFUZJEABSMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c21-19(27)18(26)14(8-12-10-29-16-5-3-4-13(12)16)24-20(28)15-9-22-11-25(15)17-6-1-2-7-23-17/h1-2,4-7,9-11,14H,3,8H2,(H2,21,27)(H,24,28).

What are the key properties of N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide?

N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide has a molecular weight of 391.39 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(5H-cyclopenta[b]furan-3-yl)-3,4-dioxobutan-2-yl]-3-pyridin-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 162146910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).