N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C21H26N4O3 — CID 109075421

About N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109075421) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 109075421
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
• SMILES: Cc1ccccc1CNC(=O)c1nc(C(=O)N2CCOCC2)n2c1CCCC2
• InChI: InChI=1S/C21H26N4O3/c1-15-6-2-3-7-16(15)14-22-20(26)18-17-8-4-5-9-25(17)19(23-18)21(27)24-10-12-28-13-11-24/h2-3,6-7H,4-5,8-14H2,1H3,(H,22,26)
• InChIKey: VWBFJQIULDUMEY-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109075421) is N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is Cc1ccccc1CNC(=O)c1nc(C(=O)N2CCOCC2)n2c1CCCC2.

What is the InChIKey of N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is VWBFJQIULDUMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-6-2-3-7-16(15)14-22-20(26)18-17-8-4-5-9-25(17)19(23-18)21(27)24-10-12-28-13-11-24/h2-3,6-7H,4-5,8-14H2,1H3,(H,22,26).

What are the key properties of N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?

N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methylphenyl)methyl]-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).