[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

C24H24N4O2 — CID 126745511

About [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (PubChem CID 126745511) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
• PubChem CID: 126745511
• Molecular Formula: C24H24N4O2
• Molecular Weight: 400.48 g/mol
• Exact Mass: 400.19
• IUPAC Name: [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone
• SMILES: Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1
• InChI: InChI=1S/C24H24N4O2/c1-15-6-9-22(26-13-15)30-21-12-17-11-20(21)28(14-17)24(29)23-18(8-7-16(2)27-23)19-5-3-4-10-25-19/h3-10,13,17,20-21H,11-12,14H2,1-2H3
• InChIKey: IVMURGHWWWLVNH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 68.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.48
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?

The IUPAC name of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone (CID 126745511) is [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone.

What is the SMILES notation for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?

The canonical SMILES for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ccccn2)C3)nc1.

What is the InChIKey of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?

The InChIKey is IVMURGHWWWLVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15-6-9-22(26-13-15)30-21-12-17-11-20(21)28(14-17)24(29)23-18(8-7-16(2)27-23)19-5-3-4-10-25-19/h3-10,13,17,20-21H,11-12,14H2,1-2H3.

What are the key properties of [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone?

[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone has a molecular weight of 400.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyridin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 126745511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).