3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide

C18H16N4O2S — CID 52937555

IUPAC3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O2S/c1-25(24)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyXKSHJVRSLGTDOV-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937555) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937555
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O2S/c1-25(24)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyXKSHJVRSLGTDOV-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937555) is 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide is CS(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is XKSHJVRSLGTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(24)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(4-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-(4-methylsulfinylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).