1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

C22H22N6O — CID 3227361

About 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 3227361) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
• PubChem CID: 3227361
• Molecular Formula: C22H22N6O
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.19
• IUPAC Name: 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
• SMILES: Cc1cc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)n2ncnc2n1
• InChI: InChI=1S/C22H22N6O/c1-15-12-20(28-22(25-15)23-14-24-28)27-11-5-8-17(13-27)21(29)26-19-10-4-7-16-6-2-3-9-18(16)19/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3,(H,26,29)
• InChIKey: YPHRTZLIMDSTSY-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?

The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 3227361) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide.

What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?

The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1cc(N2CCCC(C(=O)Nc3cccc4ccccc34)C2)n2ncnc2n1.

What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?

The InChIKey is YPHRTZLIMDSTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-15-12-20(28-22(25-15)23-14-24-28)27-11-5-8-17(13-27)21(29)26-19-10-4-7-16-6-2-3-9-18(16)19/h2-4,6-7,9-10,12,14,17H,5,8,11,13H2,1H3,(H,26,29).

What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide?

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 3227361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).