N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide

C25H23N5O3 — CID 58588511

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

N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide (PubChem CID 58588511) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide
• PubChem CID: 58588511
• Molecular Formula: C25H23N5O3
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.18
• IUPAC Name: N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide
• SMILES: CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3ccccc3OC)ccc2C)n1
• InChI: InChI=1S/C25H23N5O3/c1-16-10-11-17(23(31)29-20-8-4-5-9-21(20)32-3)15-22(16)33-24-18(7-6-13-27-24)19-12-14-28-25(26-2)30-19/h4-15H,1-3H3,(H,29,31)(H,26,28,30)
• InChIKey: UKBFJTOBTNEGTI-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 98.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide (CID 58588511) is N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide.

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

The canonical SMILES for N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide is CNc1nccc(-c2cccnc2Oc2cc(C(=O)Nc3ccccc3OC)ccc2C)n1.

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

The InChIKey is UKBFJTOBTNEGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-16-10-11-17(23(31)29-20-8-4-5-9-21(20)32-3)15-22(16)33-24-18(7-6-13-27-24)19-12-14-28-25(26-2)30-19/h4-15H,1-3H3,(H,29,31)(H,26,28,30).

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

N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide has a molecular weight of 441.49 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-4-methyl-3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 58588511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).