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

C25H27N5O — CID 126745572

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

[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (PubChem CID 126745572) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
• PubChem CID: 126745572
• Molecular Formula: C25H27N5O
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.22
• IUPAC Name: [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncccc2C)C3)nc1
• InChI: InChI=1S/C25H27N5O/c1-16-7-10-22(28-14-16)29-20-13-18-8-9-21(20)30(15-18)25(31)24-19(6-4-12-27-24)23-17(2)5-3-11-26-23/h3-7,10-12,14,18,20-21H,8-9,13,15H2,1-2H3,(H,28,29)
• InChIKey: OOFRYWHYEZAKKG-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone (CID 126745572) is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone.

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

The canonical SMILES for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is Cc1ccc(NC2CC3CCC2N(C(=O)c2ncccc2-c2ncccc2C)C3)nc1.

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

The InChIKey is OOFRYWHYEZAKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-16-7-10-22(28-14-16)29-20-13-18-8-9-21(20)30(15-18)25(31)24-19(6-4-12-27-24)23-17(2)5-3-11-26-23/h3-7,10-12,14,18,20-21H,8-9,13,15H2,1-2H3,(H,28,29).

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

[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone has a molecular weight of 413.53 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.2]octan-2-yl]-[3-(3-methyl-2-pyridinyl)-2-pyridinyl]methanone is sourced from PubChem (CID 126745572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).