3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C21H24N4O2 — CID 155960972

About 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 155960972) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 155960972
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(CC(CO)CNC(=O)c2ccc3nnc(C4CC4)n3c2)cc1
• InChI: InChI=1S/C21H24N4O2/c1-14-2-4-15(5-3-14)10-16(13-26)11-22-21(27)18-8-9-19-23-24-20(17-6-7-17)25(19)12-18/h2-5,8-9,12,16-17,26H,6-7,10-11,13H2,1H3,(H,22,27)
• InChIKey: IJLFLAHBEDHPHU-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 79.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 155960972) is 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(CC(CO)CNC(=O)c2ccc3nnc(C4CC4)n3c2)cc1.

What is the InChIKey of 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is IJLFLAHBEDHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-2-4-15(5-3-14)10-16(13-26)11-22-21(27)18-8-9-19-23-24-20(17-6-7-17)25(19)12-18/h2-5,8-9,12,16-17,26H,6-7,10-11,13H2,1H3,(H,22,27).

What are the key properties of 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 155960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).