2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide

C22H22F4N6O2 — CID 10162698

About 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide

2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide (PubChem CID 10162698) has the molecular formula C22H22F4N6O2 and a molecular weight of 478.45 g/mol. Its IUPAC name is 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide
• PubChem CID: 10162698
• Molecular Formula: C22H22F4N6O2
• Molecular Weight: 478.45 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide
• SMILES: Cc1ccc(C(F)(F)CNc2ncc(C)n(CC(=O)NCC(F)(F)c3ccccn3)c2=O)nc1
• InChI: InChI=1S/C22H22F4N6O2/c1-14-6-7-17(28-9-14)22(25,26)13-31-19-20(34)32(15(2)10-29-19)11-18(33)30-12-21(23,24)16-5-3-4-8-27-16/h3-10H,11-13H2,1-2H3,(H,29,31)(H,30,33)
• InChIKey: PKDHUQZDNWRFQC-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.45
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide?

The IUPAC name of 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide (CID 10162698) is 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide.

What is the SMILES notation for 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide?

The canonical SMILES for 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide is Cc1ccc(C(F)(F)CNc2ncc(C)n(CC(=O)NCC(F)(F)c3ccccn3)c2=O)nc1.

What is the InChIKey of 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide?

The InChIKey is PKDHUQZDNWRFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N6O2/c1-14-6-7-17(28-9-14)22(25,26)13-31-19-20(34)32(15(2)10-29-19)11-18(33)30-12-21(23,24)16-5-3-4-8-27-16/h3-10H,11-13H2,1-2H3,(H,29,31)(H,30,33).

What are the key properties of 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide?

2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide has a molecular weight of 478.45 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]-N-(2,2-difluoro-2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 10162698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).