3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H19N5O2 — CID 109070267

About 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109070267) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109070267
• Molecular Formula: C22H19N5O2
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.15
• IUPAC Name: 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: O=C(NCc1cccnc1)c1nc(C(=O)NCc2ccccc2)n2ccccc12
• InChI: InChI=1S/C22H19N5O2/c28-21(24-15-17-9-6-11-23-13-17)19-18-10-4-5-12-27(18)20(26-19)22(29)25-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,28)(H,25,29)
• InChIKey: BSRRKPPZGPPQRI-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 88.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109070267) is 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

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

The canonical SMILES for 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is O=C(NCc1cccnc1)c1nc(C(=O)NCc2ccccc2)n2ccccc12.

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

The InChIKey is BSRRKPPZGPPQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c28-21(24-15-17-9-6-11-23-13-17)19-18-10-4-5-12-27(18)20(26-19)22(29)25-14-16-7-2-1-3-8-16/h1-13H,14-15H2,(H,24,28)(H,25,29).

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

3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-benzyl-1-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109070267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).