2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide

C26H24FN5O2 — CID 58588382

About 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide

2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 58588382) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

• Compound Name: 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide
• PubChem CID: 58588382
• Molecular Formula: C26H24FN5O2
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.19
• IUPAC Name: 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide
• SMILES: CNc1nccc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3ccc(C(C)C)cc3)c2)n1
• InChI: InChI=1S/C26H24FN5O2/c1-16(2)17-6-8-18(9-7-17)31-24(33)21-15-19(10-11-22(21)27)34-25-20(5-4-13-29-25)23-12-14-30-26(28-3)32-23/h4-16H,1-3H3,(H,31,33)(H,28,30,32)
• InChIKey: JVUOBIBZOZWRNX-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide?

The IUPAC name of 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide (CID 58588382) is 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide.

What is the SMILES notation for 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide?

The canonical SMILES for 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide is CNc1nccc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3ccc(C(C)C)cc3)c2)n1.

What is the InChIKey of 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide?

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

What are the key properties of 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide?

2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 457.51 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 58588382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).