2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid

C12H14N4O4S — CID 63654103

IUPAC2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N4O4S/c1-7-10(8(2)16(3)14-7)21(19,20)15-11-9(12(17)18)5-4-6-13-11/h4-6H,1-3H3,(H,13,15)(H,17,18)
InChIKeyRZEVTDUMQZYKJR-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid

2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 63654103) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID63654103
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1ncccc1C(=O)O
InChIInChI=1S/C12H14N4O4S/c1-7-10(8(2)16(3)14-7)21(19,20)15-11-9(12(17)18)5-4-6-13-11/h4-6H,1-3H3,(H,13,15)(H,17,18)
InChIKeyRZEVTDUMQZYKJR-UHFFFAOYSA-N
XLogP0.93
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260055
2-[(1-methylimidazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654101
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
2-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyridine-3-carboxamide
CID 153410852
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 45291030
2-[(2,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
CID 71016995
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 19683131
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2-[(4-chloro-2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63653933
2-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 4738922
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid (CID 63654103) is 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncccc1C(=O)O.
What is the InChIKey of 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is RZEVTDUMQZYKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-7-10(8(2)16(3)14-7)21(19,20)15-11-9(12(17)18)5-4-6-13-11/h4-6H,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid?
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63654103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).