6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide

C21H20N6O4S — CID 156817123

IUPAC6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N6O4S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)32(31)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29)
InChIKeyOCAJLZHSNMVWJK-UHFFFAOYSA-N
MW452.50 g/mol
LogP2.10
Rot. Bonds6

About 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide

6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide (PubChem CID 156817123) has the molecular formula C21H20N6O4S and a molecular weight of 452.50 g/mol. Its IUPAC name is 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide
PubChem CID156817123
Molecular FormulaC21H20N6O4S
Molecular Weight452.50 g/mol
Exact Mass452.13
IUPAC Name6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide
SMILESCC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H20N6O4S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)32(31)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29)
InChIKeyOCAJLZHSNMVWJK-UHFFFAOYSA-N
XLogP2.10
TPSA156.17 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.50
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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3-Amino-6-(4-{[2-(Dimethylamino)ethyl]sulfamoyl}phenyl)-N-Pyridin-3-Ylpyrazine-2-Carboxamide
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CID 10142642
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-[4-(pyrrolidin-1-ylmethyl)-3-pyridinyl]pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide?
The IUPAC name of 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide (CID 156817123) is 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide.
What is the SMILES notation for 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide?
The canonical SMILES for 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide is CC(=O)Nc1ccc(-c2cnc(N)c(C(=O)Nc3ccc(S(=O)NC(C)=O)cc3)n2)cc1.
What is the InChIKey of 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide?
The InChIKey is OCAJLZHSNMVWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O4S/c1-12(28)24-15-5-3-14(4-6-15)18-11-23-20(22)19(26-18)21(30)25-16-7-9-17(10-8-16)32(31)27-13(2)29/h3-11H,1-2H3,(H2,22,23)(H,24,28)(H,25,30)(H,27,29).
What are the key properties of 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide?
6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide has a molecular weight of 452.50 g/mol, XLogP of 2.10, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidophenyl)-N-(4-acetylsulfinamoylphenyl)-3-aminopyrazine-2-carboxamide is sourced from PubChem (CID 156817123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).