5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid

C24H29N5O5S — CID 53056737

About 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid

5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid (PubChem CID 53056737) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
• PubChem CID: 53056737
• Molecular Formula: C24H29N5O5S
• Molecular Weight: 499.59 g/mol
• Exact Mass: 499.19
• IUPAC Name: 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
• SMILES: CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2C(=O)O)c1C
• InChI: InChI=1S/C24H29N5O5S/c1-6-29-16(3)21(15(2)26-29)11-12-28(5)23-22(24(31)32)13-19(14-25-23)27-35(33,34)20-9-7-18(8-10-20)17(4)30/h7-10,13-14,27H,6,11-12H2,1-5H3,(H,31,32)
• InChIKey: BXJAXTHJQYUITB-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 134.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.59
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid (CID 53056737) is 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid is CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2C(=O)O)c1C.

What is the InChIKey of 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

The InChIKey is BXJAXTHJQYUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-6-29-16(3)21(15(2)26-29)11-12-28(5)23-22(24(31)32)13-19(14-25-23)27-35(33,34)20-9-7-18(8-10-20)17(4)30/h7-10,13-14,27H,6,11-12H2,1-5H3,(H,31,32).

What are the key properties of 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid?

5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid has a molecular weight of 499.59 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53056737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).