3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H28N4O2 — CID 109072184

About 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109072184) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• PubChem CID: 109072184
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
• SMILES: CCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2CC)n2c1CCCC2
• InChI: InChI=1S/C21H28N4O2/c1-4-12-22-20(26)18-16-11-6-7-13-25(16)19(23-18)21(27)24-17-14(3)9-8-10-15(17)5-2/h8-10H,4-7,11-13H2,1-3H3,(H,22,26)(H,24,27)
• InChIKey: MDHHYOCOLKBEHJ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The IUPAC name of 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109072184) is 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

What is the SMILES notation for 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The canonical SMILES for 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCNC(=O)c1nc(C(=O)Nc2c(C)cccc2CC)n2c1CCCC2.

What is the InChIKey of 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

The InChIKey is MDHHYOCOLKBEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-12-22-20(26)18-16-11-6-7-13-25(16)19(23-18)21(27)24-17-14(3)9-8-10-15(17)5-2/h8-10H,4-7,11-13H2,1-3H3,(H,22,26)(H,24,27).

What are the key properties of 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?

3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(2-ethyl-6-methylphenyl)-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109072184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).