1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H28N4O2 — CID 109071322

About 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109071322) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109071322
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCC(C)C)n2ccccc12
• InChI: InChI=1S/C23H28N4O2/c1-5-17-10-8-9-16(4)19(17)26-22(28)20-18-11-6-7-14-27(18)21(25-20)23(29)24-13-12-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,29)(H,26,28)
• InChIKey: TYLHTMGDWGOMBX-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 75.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109071322) is 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is CCc1cccc(C)c1NC(=O)c1nc(C(=O)NCCC(C)C)n2ccccc12.

What is the InChIKey of 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is TYLHTMGDWGOMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-5-17-10-8-9-16(4)19(17)26-22(28)20-18-11-6-7-14-27(18)21(25-20)23(29)24-13-12-15(2)3/h6-11,14-15H,5,12-13H2,1-4H3,(H,24,29)(H,26,28).

What are the key properties of 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide?

1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(2-ethyl-6-methylphenyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109071322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).