N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C25H26N4O4 — CID 71715697

About N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715697) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 71715697
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1
• InChI: InChI=1S/C25H26N4O4/c1-16(30)28-20-4-2-17(3-5-20)24(32)29-10-7-25(8-11-29)13-19(25)14-27-23(31)21-12-18-6-9-26-15-22(18)33-21/h2-6,9,12,15,19H,7-8,10-11,13-14H2,1H3,(H,27,31)(H,28,30)
• InChIKey: LLNHKRLTDLMWML-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 104.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715697) is N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is CC(=O)Nc1ccc(C(=O)N2CCC3(CC2)CC3CNC(=O)c2cc3ccncc3o2)cc1.

What is the InChIKey of N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is LLNHKRLTDLMWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(30)28-20-4-2-17(3-5-20)24(32)29-10-7-25(8-11-29)13-19(25)14-27-23(31)21-12-18-6-9-26-15-22(18)33-21/h2-6,9,12,15,19H,7-8,10-11,13-14H2,1H3,(H,27,31)(H,28,30).

What are the key properties of N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(4-acetamidobenzoyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).