3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide

C28H22F2N4O3 — CID 56992082

About 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 56992082) has the molecular formula C28H22F2N4O3 and a molecular weight of 500.51 g/mol. Its IUPAC name is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
• PubChem CID: 56992082
• Molecular Formula: C28H22F2N4O3
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.17
• IUPAC Name: 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide
• SMILES: Cc1c(F)c(OCc2cccc(C(=O)NCCc3ccccn3)c2)nc(Oc2cccc(C#N)c2)c1F
• InChI: InChI=1S/C28H22F2N4O3/c1-18-24(29)27(34-28(25(18)30)37-23-10-5-6-19(15-23)16-31)36-17-20-7-4-8-21(14-20)26(35)33-13-11-22-9-2-3-12-32-22/h2-10,12,14-15H,11,13,17H2,1H3,(H,33,35)
• InChIKey: XULNIBNUUVMASI-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 97.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide?

The IUPAC name of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 56992082) is 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide.

What is the SMILES notation for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide?

The canonical SMILES for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide is Cc1c(F)c(OCc2cccc(C(=O)NCCc3ccccn3)c2)nc(Oc2cccc(C#N)c2)c1F.

What is the InChIKey of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide?

The InChIKey is XULNIBNUUVMASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2N4O3/c1-18-24(29)27(34-28(25(18)30)37-23-10-5-6-19(15-23)16-31)36-17-20-7-4-8-21(14-20)26(35)33-13-11-22-9-2-3-12-32-22/h2-10,12,14-15H,11,13,17H2,1H3,(H,33,35).

What are the key properties of 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide?

3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 500.51 g/mol, XLogP of 5.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[6-(3-cyanophenoxy)-3,5-difluoro-4-methyl-2-pyridinyl]oxymethyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 56992082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).