3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C19H20N6O4S — CID 56603751

IUPAC3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26)
InChIKeyOMGQIHJJEYTELG-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.30
Rot. Bonds8

About 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 56603751) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID56603751
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26)
InChIKeyOMGQIHJJEYTELG-UHFFFAOYSA-N
XLogP1.30
TPSA149.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 56603751) is 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is COCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is OMGQIHJJEYTELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-29-10-9-23-30(27,28)15-6-4-13(5-7-15)16-12-22-18(20)17(25-16)19(26)24-14-3-2-8-21-11-14/h2-8,11-12,23H,9-10H2,1H3,(H2,20,22)(H,24,26).
What are the key properties of 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-methoxyethylsulfamoyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 56603751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).