N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C24H26N8O — CID 97448664

About N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448664) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 97448664
• Molecular Formula: C24H26N8O
• Molecular Weight: 442.53 g/mol
• Exact Mass: 442.22
• IUPAC Name: N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(Cc5ccccn5)CCN4C)n3c2)cn1
• InChI: InChI=1S/C24H26N8O/c1-17-6-8-19(13-26-17)27-24(33)18-7-9-22-28-29-23(32(22)14-18)21-16-31(12-11-30(21)2)15-20-5-3-4-10-25-20/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,27,33)/t21-/m1/s1
• InChIKey: LRTWNPDCPLIRGX-OAQYLSRUSA-N
• XLogP: 2.57
• TPSA: 91.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.53
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448664) is N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3nnc([C@H]4CN(Cc5ccccn5)CCN4C)n3c2)cn1.

What is the InChIKey of N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is LRTWNPDCPLIRGX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N8O/c1-17-6-8-19(13-26-17)27-24(33)18-7-9-22-28-29-23(32(22)14-18)21-16-31(12-11-30(21)2)15-20-5-3-4-10-25-20/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,27,33)/t21-/m1/s1.

What are the key properties of N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 442.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-3-pyridinyl)-3-[(2R)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).