5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide

C13H13N3O3S — CID 52560390

IUPAC5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C13H13N3O3S/c1-9-7-15-11(8-14-9)13(17)16-10-5-3-4-6-12(10)20(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyBROFTMKIVUAVBW-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.44
Rot. Bonds3

About 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide

5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide (PubChem CID 52560390) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
PubChem CID52560390
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2S(C)(=O)=O)cn1
InChIInChI=1S/C13H13N3O3S/c1-9-7-15-11(8-14-9)13(17)16-10-5-3-4-6-12(10)20(2,18)19/h3-8H,1-2H3,(H,16,17)
InChIKeyBROFTMKIVUAVBW-UHFFFAOYSA-N
XLogP1.44
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
CID 75477995
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
5-amino-2-methyl-N-(2-methylsulfonylphenyl)pyridine-3-carboxamide
CID 61112376
5-methyl-N-[2-(2-pyridin-2-ylethylamino)phenyl]pyrazine-2-carboxamide
CID 86814979
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide (CID 52560390) is 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccccc2S(C)(=O)=O)cn1.
What is the InChIKey of 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide?
The InChIKey is BROFTMKIVUAVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-9-7-15-11(8-14-9)13(17)16-10-5-3-4-6-12(10)20(2,18)19/h3-8H,1-2H3,(H,16,17).
What are the key properties of 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide?
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 52560390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).