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

C23H29N5O4S — CID 53024970

IUPAC5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)O
InChIInChI=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)
InChIKeyYARGHUHFBHYKRG-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.69
Rot. Bonds10

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 Name5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID53024970
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCCCn1nc(C)cc1CN(C)c1ncc(NS(=O)(=O)c2ccc(CC)cc2)cc1C(=O)O
InChIInChI=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)
InChIKeyYARGHUHFBHYKRG-UHFFFAOYSA-N
XLogP3.69
TPSA117.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).