6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid

C25H24F2N2O6 — CID 73085606

About 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid

6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 73085606) has the molecular formula C25H24F2N2O6 and a molecular weight of 486.47 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 73085606
• Molecular Formula: C25H24F2N2O6
• Molecular Weight: 486.47 g/mol
• Exact Mass: 486.16
• IUPAC Name: 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid
• SMILES: COCC(C)Oc1cc(OCC(F)(F)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1
• InChI: InChI=1S/C25H24F2N2O6/c1-16(14-33-2)35-21-11-18(23(30)29-22-9-8-17(13-28-22)24(31)32)10-20(12-21)34-15-25(26,27)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,31,32)(H,28,29,30)
• InChIKey: PPIYZEGVMJHCLQ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.47
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid (CID 73085606) is 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid is COCC(C)Oc1cc(OCC(F)(F)c2ccccc2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1.

What is the InChIKey of 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid?

The InChIKey is PPIYZEGVMJHCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O6/c1-16(14-33-2)35-21-11-18(23(30)29-22-9-8-17(13-28-22)24(31)32)10-20(12-21)34-15-25(26,27)19-6-4-3-5-7-19/h3-13,16H,14-15H2,1-2H3,(H,31,32)(H,28,29,30).

What are the key properties of 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid?

6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 486.47 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(2,2-difluoro-2-phenylethoxy)-5-(1-methoxypropan-2-yloxy)benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 73085606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).