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

C20H23N7O3S — CID 56962315

IUPAC3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28)
InChIKeyHULMMZPBCUBDJN-UHFFFAOYSA-N
MW441.52 g/mol
LogP1.21
Rot. Bonds8

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

3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 56962315) has the molecular formula C20H23N7O3S and a molecular weight of 441.52 g/mol. Its IUPAC name is 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID56962315
Molecular FormulaC20H23N7O3S
Molecular Weight441.52 g/mol
Exact Mass441.16
IUPAC Name3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28)
InChIKeyHULMMZPBCUBDJN-UHFFFAOYSA-N
XLogP1.21
TPSA143.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 56962315) is 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is CN(C)CCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is HULMMZPBCUBDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3S/c1-27(2)11-10-24-31(29,30)16-7-5-14(6-8-16)17-13-23-19(21)18(26-17)20(28)25-15-4-3-9-22-12-15/h3-9,12-13,24H,10-11H2,1-2H3,(H2,21,23)(H,25,28).
What are the key properties of 3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 1.21, 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-(dimethylamino)ethylsulfamoyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 56962315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).