2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C22H25N5O2 — CID 154866576

About 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 154866576) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• PubChem CID: 154866576
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
• SMILES: CC(NC(=O)Cn1cc(-c2cccc(CO)n2)nn1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C22H25N5O2/c1-15(17-10-9-16-5-2-3-6-18(16)11-17)23-22(29)13-27-12-21(25-26-27)20-8-4-7-19(14-28)24-20/h4,7-12,15,28H,2-3,5-6,13-14H2,1H3,(H,23,29)
• InChIKey: GLDQBDGIFRHVSQ-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 92.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The IUPAC name of 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 154866576) is 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

What is the SMILES notation for 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The canonical SMILES for 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is CC(NC(=O)Cn1cc(-c2cccc(CO)n2)nn1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

The InChIKey is GLDQBDGIFRHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(17-10-9-16-5-2-3-6-18(16)11-17)23-22(29)13-27-12-21(25-26-27)20-8-4-7-19(14-28)24-20/h4,7-12,15,28H,2-3,5-6,13-14H2,1H3,(H,23,29).

What are the key properties of 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?

2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(hydroxymethyl)-2-pyridinyl]triazol-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 154866576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).