3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H20N4O3 — CID 109070118

About 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070118) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109070118
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CN(Cc1ccccc1)C(=O)c1nc(C(=O)NCc2ccco2)c2ccccn12
• InChI: InChI=1S/C22H20N4O3/c1-25(15-16-8-3-2-4-9-16)22(28)20-24-19(18-11-5-6-12-26(18)20)21(27)23-14-17-10-7-13-29-17/h2-13H,14-15H2,1H3,(H,23,27)
• InChIKey: XIEFSHSWPGYOKO-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 79.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070118) is 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is CN(Cc1ccccc1)C(=O)c1nc(C(=O)NCc2ccco2)c2ccccn12.

What is the InChIKey of 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is XIEFSHSWPGYOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-25(15-16-8-3-2-4-9-16)22(28)20-24-19(18-11-5-6-12-26(18)20)21(27)23-14-17-10-7-13-29-17/h2-13H,14-15H2,1H3,(H,23,27).

What are the key properties of 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-benzyl-1-N-(furan-2-ylmethyl)-3-N-methylimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).