2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

C25H29N5O3 — CID 122287797

About 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide

2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 122287797) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
• PubChem CID: 122287797
• Molecular Formula: C25H29N5O3
• Molecular Weight: 447.54 g/mol
• Exact Mass: 447.23
• IUPAC Name: 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
• SMILES: COc1ccccc1OCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1
• InChI: InChI=1S/C25H29N5O3/c1-18-16-23(30-14-6-3-7-15-30)29-25(26-18)28-20-12-10-19(11-13-20)27-24(31)17-33-22-9-5-4-8-21(22)32-2/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3,(H,27,31)(H,26,28,29)
• InChIKey: OGWCOHWRTYSWFA-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 88.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The IUPAC name of 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide (CID 122287797) is 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide.

What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The canonical SMILES for 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is COc1ccccc1OCC(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1.

What is the InChIKey of 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

The InChIKey is OGWCOHWRTYSWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-18-16-23(30-14-6-3-7-15-30)29-25(26-18)28-20-12-10-19(11-13-20)27-24(31)17-33-22-9-5-4-8-21(22)32-2/h4-5,8-13,16H,3,6-7,14-15,17H2,1-2H3,(H,27,31)(H,26,28,29).

What are the key properties of 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide?

2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122287797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).