6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid

C17H21N3O4S — CID 122052746

IUPAC6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-20(4-2)25(23,24)14-10-8-13(9-11-14)12-18-16-7-5-6-15(19-16)17(21)22/h5-11H,3-4,12H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyFZEKKRRJXJBKIK-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.42
Rot. Bonds8

About 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid

6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122052746) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122052746
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C17H21N3O4S/c1-3-20(4-2)25(23,24)14-10-8-13(9-11-14)12-18-16-7-5-6-15(19-16)17(21)22/h5-11H,3-4,12H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyFZEKKRRJXJBKIK-UHFFFAOYSA-N
XLogP2.42
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
CID 122053203
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
4-[[4-(diethylsulfamoyl)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119179721
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 47611564
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 24503840
2-amino-N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-phenylpropanamide;hydrochloride
CID 120587270
6-[benzenesulfonyl(ethyl)amino]pyridine-2-carboxylic acid
CID 5263799
N-[[4-(diethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 66675297
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
4-[benzyl(ethyl)sulfamoyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 18558936

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid (CID 122052746) is 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid is CCN(CC)S(=O)(=O)c1ccc(CNc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is FZEKKRRJXJBKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-20(4-2)25(23,24)14-10-8-13(9-11-14)12-18-16-7-5-6-15(19-16)17(21)22/h5-11H,3-4,12H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid?
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 363.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).