5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid

C23H29N5O4S — CID 53024970

About 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid

5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 53024970) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 53024970
• Molecular Formula: C23H29N5O4S
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.19
• IUPAC Name: 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
• SMILES: CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)O
• InChI: InChI=1S/C23H29N5O4S/c1-5-11-28-19(12-16(3)25-28)15-27(4)22-21(23(29)30)13-18(14-24-22)26-33(31,32)20-9-7-17(6-2)8-10-20/h7-10,12-14,26H,5-6,11,15H2,1-4H3,(H,29,30)
• InChIKey: YARGHUHFBHYKRG-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 117.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid (CID 53024970) is 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid is CCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)O.

What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

The InChIKey is YARGHUHFBHYKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-5-11-28-19(12-16(3)25-28)15-27(4)22-21(23(29)30)13-18(14-24-22)26-33(31,32)20-9-7-17(6-2)8-10-20/h7-10,12-14,26H,5-6,11,15H2,1-4H3,(H,29,30).

What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid?

5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 471.58 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).