5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid

C25H34N4O4S — CID 53024994

About 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 53024994) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 53024994
• Molecular Formula: C25H34N4O4S
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.23
• IUPAC Name: 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cnc1N1CCC(CCN2CCCCC2)CC1
• InChI: InChI=1S/C25H34N4O4S/c1-19-7-3-4-8-23(19)34(32,33)27-22-17-21(25(30)31)18-26-24(22)29-15-10-20(11-16-29)9-14-28-12-5-2-6-13-28/h3-4,7-8,17-18,20,27H,2,5-6,9-16H2,1H3,(H,30,31)
• InChIKey: DCSKQFHACWEPRQ-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 102.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 53024994) is 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)O)cnc1N1CCC(CCN2CCCCC2)CC1.

What is the InChIKey of 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is DCSKQFHACWEPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-19-7-3-4-8-23(19)34(32,33)27-22-17-21(25(30)31)18-26-24(22)29-15-10-20(11-16-29)9-14-28-12-5-2-6-13-28/h3-4,7-8,17-18,20,27H,2,5-6,9-16H2,1H3,(H,30,31).

What are the key properties of 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid?

5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 486.64 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).