2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

C17H21N3O4S — CID 53056716

IUPAC2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-10-6-12(3)15(7-11(10)2)25(23,24)19-13-8-14(17(21)22)16(18-9-13)20(4)5/h6-9,19H,1-5H3,(H,21,22)
InChIKeyBZQNJTFDBXQZOL-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.57
Rot. Bonds5

About 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53056716) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53056716
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1C
InChIInChI=1S/C17H21N3O4S/c1-10-6-12(3)15(7-11(10)2)25(23,24)19-13-8-14(17(21)22)16(18-9-13)20(4)5/h6-9,19H,1-5H3,(H,21,22)
InChIKeyBZQNJTFDBXQZOL-UHFFFAOYSA-N
XLogP2.57
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53056716) is 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)c(C(=O)O)c2)cc1C.
What is the InChIKey of 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is BZQNJTFDBXQZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-10-6-12(3)15(7-11(10)2)25(23,24)19-13-8-14(17(21)22)16(18-9-13)20(4)5/h6-9,19H,1-5H3,(H,21,22).
What are the key properties of 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53056716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).