[6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

C26H28N4O2 — CID 126745695

About [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone

[6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 126745695) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

• Compound Name: [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
• PubChem CID: 126745695
• Molecular Formula: C26H28N4O2
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.22
• IUPAC Name: [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone
• SMILES: Cc1ccc(OC2CC3CCC2N(C(=O)c2ccc(C)nc2-c2ncccc2C)C3)nc1
• InChI: InChI=1S/C26H28N4O2/c1-16-6-11-23(28-14-16)32-22-13-19-8-10-21(22)30(15-19)26(31)20-9-7-18(3)29-25(20)24-17(2)5-4-12-27-24/h4-7,9,11-12,14,19,21-22H,8,10,13,15H2,1-3H3
• InChIKey: NVKMUAZHYVBXIY-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The IUPAC name of [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone (CID 126745695) is [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone.

What is the SMILES notation for [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The canonical SMILES for [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is Cc1ccc(OC2CC3CCC2N(C(=O)c2ccc(C)nc2-c2ncccc2C)C3)nc1.

What is the InChIKey of [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

The InChIKey is NVKMUAZHYVBXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16-6-11-23(28-14-16)32-22-13-19-8-10-21(22)30(15-19)26(31)20-9-7-18(3)29-25(20)24-17(2)5-4-12-27-24/h4-7,9,11-12,14,19,21-22H,8,10,13,15H2,1-3H3.

What are the key properties of [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone?

[6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 428.54 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-methyl-2-(3-methyl-2-pyridinyl)-3-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 126745695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).