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

C18H16N4O3S — CID 46834572

IUPAC3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyISWAJEMQAQNLMY-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.38
Rot. Bonds4

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

3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 46834572) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID46834572
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyISWAJEMQAQNLMY-UHFFFAOYSA-N
XLogP2.38
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide (CID 46834572) is 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is CS(=O)(=O)c1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is ISWAJEMQAQNLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-5-6-12(10-14)15-11-20-17(19)16(22-15)18(23)21-13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 368.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylsulfonylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 46834572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).