5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

C19H24N4O4S — CID 92746310

About 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid

5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 92746310) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
• PubChem CID: 92746310
• Molecular Formula: C19H24N4O4S
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.15
• IUPAC Name: 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
• SMILES: Cc1cccc(N2CCN(c3ncc(NS(C)(=O)=O)cc3C(=O)O)C[C@@H]2C)c1
• InChI: InChI=1S/C19H24N4O4S/c1-13-5-4-6-16(9-13)23-8-7-22(12-14(23)2)18-17(19(24)25)10-15(11-20-18)21-28(3,26)27/h4-6,9-11,14,21H,7-8,12H2,1-3H3,(H,24,25)/t14-/m0/s1
• InChIKey: DLZUQZZFGALKIZ-AWEZNQCLSA-N
• XLogP: 2.17
• TPSA: 102.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The IUPAC name of 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 92746310) is 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The canonical SMILES for 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid is Cc1cccc(N2CCN(c3ncc(NS(C)(=O)=O)cc3C(=O)O)C[C@@H]2C)c1.

What is the InChIKey of 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

The InChIKey is DLZUQZZFGALKIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-13-5-4-6-16(9-13)23-8-7-22(12-14(23)2)18-17(19(24)25)10-15(11-20-18)21-28(3,26)27/h4-6,9-11,14,21H,7-8,12H2,1-3H3,(H,24,25)/t14-/m0/s1.

What are the key properties of 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid?

5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 404.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methanesulfonamido)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 92746310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).