2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide

C20H26N8O — CID 55845306

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 55845306) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
• PubChem CID: 55845306
• Molecular Formula: C20H26N8O
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.22
• IUPAC Name: 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide
• SMILES: Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc(N2CCCCC2)nc1
• InChI: InChI=1S/C20H26N8O/c1-13-16(14(2)28-20(24-13)25-19(21)26-28)10-18(29)23-12-15-6-7-17(22-11-15)27-8-4-3-5-9-27/h6-7,11H,3-5,8-10,12H2,1-2H3,(H2,21,26)(H,23,29)
• InChIKey: CHFISCONCPTMPK-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 114.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?

The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide (CID 55845306) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide.

What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?

The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)NCc1ccc(N2CCCCC2)nc1.

What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?

The InChIKey is CHFISCONCPTMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-13-16(14(2)28-20(24-13)25-19(21)26-28)10-18(29)23-12-15-6-7-17(22-11-15)27-8-4-3-5-9-27/h6-7,11H,3-5,8-10,12H2,1-2H3,(H2,21,26)(H,23,29).

What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide?

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 55845306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).