5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

C17H21N5O4S — CID 124940879

IUPAC5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C17H21N5O4S/c1-21(2)27(25,26)22-5-3-4-12(11-22)15-9-19-10-16(20-15)13-6-14(17(23)24)8-18-7-13/h6-10,12H,3-5,11H2,1-2H3,(H,23,24)/t12-/m0/s1
InChIKeyAJEXCHAFSCPSAU-LBPRGKRZSA-N
MW391.45 g/mol
LogP1.22
Rot. Bonds5

About 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 124940879) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID124940879
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C17H21N5O4S/c1-21(2)27(25,26)22-5-3-4-12(11-22)15-9-19-10-16(20-15)13-6-14(17(23)24)8-18-7-13/h6-10,12H,3-5,11H2,1-2H3,(H,23,24)/t12-/m0/s1
InChIKeyAJEXCHAFSCPSAU-LBPRGKRZSA-N
XLogP1.22
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120298
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
5-[2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 124992100
N,N-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110095318
N,N-dimethyl-3-(6-methylpyrazin-2-yl)piperidine-1-sulfonamide
CID 110257001
5-[2-[(3R)-1-(dimethylsulfamoyl)pyrrolidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 124948268
4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
N,N-dimethyl-3-[6-(1-propylpyrazol-4-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110102274
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249555
N,N-dimethyl-3-[6-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110101619
5-[6-[[1-(dimethylsulfamoyl)pyrrolidin-3-yl]methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110133790
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 124940879) is 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1.
What is the InChIKey of 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is AJEXCHAFSCPSAU-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-21(2)27(25,26)22-5-3-4-12(11-22)15-9-19-10-16(20-15)13-6-14(17(23)24)8-18-7-13/h6-10,12H,3-5,11H2,1-2H3,(H,23,24)/t12-/m0/s1.
What are the key properties of 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 391.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 124940879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).