5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide

C14H15N3O2S — CID 75477995

IUPAC5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2CS(C)=O)cn1
InChIInChI=1S/C14H15N3O2S/c1-10-7-16-13(8-15-10)14(18)17-12-6-4-3-5-11(12)9-20(2)19/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyOJBSPHFIOAUQKN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.92
Rot. Bonds4

About 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide

5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 75477995) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
PubChem CID75477995
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2CS(C)=O)cn1
InChIInChI=1S/C14H15N3O2S/c1-10-7-16-13(8-15-10)14(18)17-12-6-4-3-5-11(12)9-20(2)19/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyOJBSPHFIOAUQKN-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
N-(2,6-diethylphenyl)-5-methylpyrazine-2-carboxamide
CID 17441034
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
5-methyl-N-(2-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52560390
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
CID 47829593
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 139004120
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide (CID 75477995) is 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccccc2CS(C)=O)cn1.
What is the InChIKey of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is OJBSPHFIOAUQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-7-16-13(8-15-10)14(18)17-12-6-4-3-5-11(12)9-20(2)19/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75477995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).