3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide

C18H16N4O2S — CID 52937254

IUPAC3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O2S/c1-25(24)15-10-6-5-9-13(15)14-11-20-17(19)16(22-14)18(23)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyFCWWTHQCXQLULC-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937254) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937254
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C18H16N4O2S/c1-25(24)15-10-6-5-9-13(15)14-11-20-17(19)16(22-14)18(23)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyFCWWTHQCXQLULC-UHFFFAOYSA-N
XLogP2.72
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-(2-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937257
3-amino-6-[2-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 158114259
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-amino-6-(cyclohexen-1-yl)-N-phenylpyrazine-2-carboxamide
CID 52937150
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
[4-[(3-amino-6-phenylpyrazine-2-carbonyl)amino]phenyl]sulfonyloxy-methylphosphinic acid
CID 175401275

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937254) is 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide is CS(=O)c1ccccc1-c1cnc(N)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is FCWWTHQCXQLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(24)15-10-6-5-9-13(15)14-11-20-17(19)16(22-14)18(23)21-12-7-3-2-4-8-12/h2-11H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).