6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

C25H26N2O7 — CID 11317268

About 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid

6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 11317268) has the molecular formula C25H26N2O7 and a molecular weight of 466.49 g/mol. Its IUPAC name is 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 11317268
• Molecular Formula: C25H26N2O7
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.17
• IUPAC Name: 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
• SMILES: CCOc1cccc(Oc2cc(O[C@@H](C)COC)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)c1
• InChI: InChI=1S/C25H26N2O7/c1-4-32-19-6-5-7-20(12-19)34-22-11-18(10-21(13-22)33-16(2)15-31-3)24(28)27-23-9-8-17(14-26-23)25(29)30/h5-14,16H,4,15H2,1-3H3,(H,29,30)(H,26,27,28)/t16-/m0/s1
• InChIKey: LUQGTKKBLDPNLW-INIZCTEOSA-N
• XLogP: 4.64
• TPSA: 116.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid (CID 11317268) is 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is CCOc1cccc(Oc2cc(O[C@@H](C)COC)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)c1.

What is the InChIKey of 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?

The InChIKey is LUQGTKKBLDPNLW-INIZCTEOSA-N. The full InChI is InChI=1S/C25H26N2O7/c1-4-32-19-6-5-7-20(12-19)34-22-11-18(10-21(13-22)33-16(2)15-31-3)24(28)27-23-9-8-17(14-26-23)25(29)30/h5-14,16H,4,15H2,1-3H3,(H,29,30)(H,26,27,28)/t16-/m0/s1.

What are the key properties of 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid?

6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 466.49 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-(3-ethoxyphenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11317268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).