6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

C24H25N3O8S — CID 67489750

About 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid

6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 67489750) has the molecular formula C24H25N3O8S and a molecular weight of 515.54 g/mol. Its IUPAC name is 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 67489750
• Molecular Formula: C24H25N3O8S
• Molecular Weight: 515.54 g/mol
• Exact Mass: 515.14
• IUPAC Name: 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
• SMILES: CCS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc(O[C@H](C)COC)n2)cc1
• InChI: InChI=1S/C24H25N3O8S/c1-4-36(31,32)19-8-6-18(7-9-19)35-22-12-17(11-21(27-22)34-15(2)14-33-3)23(28)26-20-10-5-16(13-25-20)24(29)30/h5-13,15H,4,14H2,1-3H3,(H,29,30)(H,25,26,28)/t15-/m1/s1
• InChIKey: VHPDGIYFLASBDP-OAHLLOKOSA-N
• XLogP: 3.43
• TPSA: 154.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.54
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid (CID 67489750) is 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is CCS(=O)(=O)c1ccc(Oc2cc(C(=O)Nc3ccc(C(=O)O)cn3)cc(O[C@H](C)COC)n2)cc1.

What is the InChIKey of 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

The InChIKey is VHPDGIYFLASBDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H25N3O8S/c1-4-36(31,32)19-8-6-18(7-9-19)35-22-12-17(11-21(27-22)34-15(2)14-33-3)23(28)26-20-10-5-16(13-25-20)24(29)30/h5-13,15H,4,14H2,1-3H3,(H,29,30)(H,25,26,28)/t15-/m1/s1.

What are the key properties of 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid?

6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 515.54 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67489750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).