3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide

C23H17Cl2N5O2 — CID 58588283

About 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide

3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide (PubChem CID 58588283) has the molecular formula C23H17Cl2N5O2 and a molecular weight of 466.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
• PubChem CID: 58588283
• Molecular Formula: C23H17Cl2N5O2
• Molecular Weight: 466.33 g/mol
• Exact Mass: 465.08
• IUPAC Name: 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
• SMILES: CNc1nccc(-c2cccnc2Oc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)n1
• InChI: InChI=1S/C23H17Cl2N5O2/c1-26-23-28-9-7-20(30-23)19-6-3-8-27-22(19)32-18-5-2-4-17(13-18)29-21(31)14-10-15(24)12-16(25)11-14/h2-13H,1H3,(H,29,31)(H,26,28,30)
• InChIKey: LLVSTSSOJLQMNS-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.33
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?

The IUPAC name of 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide (CID 58588283) is 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide is CNc1nccc(-c2cccnc2Oc2cccc(NC(=O)c3cc(Cl)cc(Cl)c3)c2)n1.

What is the InChIKey of 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?

The InChIKey is LLVSTSSOJLQMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N5O2/c1-26-23-28-9-7-20(30-23)19-6-3-8-27-22(19)32-18-5-2-4-17(13-18)29-21(31)14-10-15(24)12-16(25)11-14/h2-13H,1H3,(H,29,31)(H,26,28,30).

What are the key properties of 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide?

3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 466.33 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 58588283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).