3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C22H24N4O — CID 22551206

About 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 22551206) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• PubChem CID: 22551206
• Molecular Formula: C22H24N4O
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.20
• IUPAC Name: 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
• SMILES: Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cn3)c3n2CCCCC3)cc1
• InChI: InChI=1S/C22H24N4O/c1-15-7-10-17(11-8-15)21-25-20(18-6-4-3-5-13-26(18)21)22(27)24-19-12-9-16(2)14-23-19/h7-12,14H,3-6,13H2,1-2H3,(H,23,24,27)
• InChIKey: AXEHFBSUAFEBTJ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The IUPAC name of 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 22551206) is 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

What is the SMILES notation for 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The canonical SMILES for 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cn3)c3n2CCCCC3)cc1.

What is the InChIKey of 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

The InChIKey is AXEHFBSUAFEBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-7-10-17(11-8-15)21-25-20(18-6-4-3-5-13-26(18)21)22(27)24-19-12-9-16(2)14-23-19/h7-12,14H,3-6,13H2,1-2H3,(H,23,24,27).

What are the key properties of 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?

3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 22551206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).