2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide

C26H24FN5O2 — CID 90254926

About 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide

2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide (PubChem CID 90254926) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide
• PubChem CID: 90254926
• Molecular Formula: C26H24FN5O2
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.19
• IUPAC Name: 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide
• SMILES: CCCc1ccc(NC(=O)c2cccc(Oc3ncccc3-c3ccnc(NC)n3)c2F)cc1
• InChI: InChI=1S/C26H24FN5O2/c1-3-6-17-10-12-18(13-11-17)31-24(33)20-7-4-9-22(23(20)27)34-25-19(8-5-15-29-25)21-14-16-30-26(28-2)32-21/h4-5,7-16H,3,6H2,1-2H3,(H,31,33)(H,28,30,32)
• InChIKey: XRFWSFYFJBJETQ-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide?

The IUPAC name of 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide (CID 90254926) is 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide.

What is the SMILES notation for 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide?

The canonical SMILES for 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cccc(Oc3ncccc3-c3ccnc(NC)n3)c2F)cc1.

What is the InChIKey of 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide?

The InChIKey is XRFWSFYFJBJETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-3-6-17-10-12-18(13-11-17)31-24(33)20-7-4-9-22(23(20)27)34-25-19(8-5-15-29-25)21-14-16-30-26(28-2)32-21/h4-5,7-16H,3,6H2,1-2H3,(H,31,33)(H,28,30,32).

What are the key properties of 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide?

2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide has a molecular weight of 457.51 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 90254926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).