2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

C24H24F2N4O2 — CID 110093714

About 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110093714) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 110093714
• Molecular Formula: C24H24F2N4O2
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.19
• IUPAC Name: 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cccnc1Nc1cccc(C2CCCN(C(=O)COc3ccc(F)cc3F)C2)n1
• InChI: InChI=1S/C24H24F2N4O2/c1-16-5-3-11-27-24(16)29-22-8-2-7-20(28-22)17-6-4-12-30(14-17)23(31)15-32-21-10-9-18(25)13-19(21)26/h2-3,5,7-11,13,17H,4,6,12,14-15H2,1H3,(H,27,28,29)
• InChIKey: CZKFPJXFFNGFRR-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110093714) is 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cccnc1Nc1cccc(C2CCCN(C(=O)COc3ccc(F)cc3F)C2)n1.

What is the InChIKey of 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The InChIKey is CZKFPJXFFNGFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c1-16-5-3-11-27-24(16)29-22-8-2-7-20(28-22)17-6-4-12-30(14-17)23(31)15-32-21-10-9-18(25)13-19(21)26/h2-3,5,7-11,13,17H,4,6,12,14-15H2,1H3,(H,27,28,29).

What are the key properties of 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 438.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorophenoxy)-1-[3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110093714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).