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

C19H18F3N7O4S — CID 10228597

IUPAC3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H18F3N7O4S/c20-19(21,22)33-14-8-11(3-4-15(14)34(31,32)27-7-5-23)13-10-26-17(24)16(29-13)18(30)28-12-2-1-6-25-9-12/h1-4,6,8-10,27H,5,7,23H2,(H2,24,26)(H,28,30)
InChIKeyLDAYFPOOWVWEPB-UHFFFAOYSA-N
MW497.46 g/mol
LogP1.51
Rot. Bonds8

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

3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 10228597) has the molecular formula C19H18F3N7O4S and a molecular weight of 497.46 g/mol. Its IUPAC name is 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID10228597
Molecular FormulaC19H18F3N7O4S
Molecular Weight497.46 g/mol
Exact Mass497.11
IUPAC Name3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESNCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1OC(F)(F)F
InChIInChI=1S/C19H18F3N7O4S/c20-19(21,22)33-14-8-11(3-4-15(14)34(31,32)27-7-5-23)13-10-26-17(24)16(29-13)18(30)28-12-2-1-6-25-9-12/h1-4,6,8-10,27H,5,7,23H2,(H2,24,26)(H,28,30)
InChIKeyLDAYFPOOWVWEPB-UHFFFAOYSA-N
XLogP1.51
TPSA175.21 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.46
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 10228597) is 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is NCCNS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3cccnc3)n2)cc1OC(F)(F)F.
What is the InChIKey of 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is LDAYFPOOWVWEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N7O4S/c20-19(21,22)33-14-8-11(3-4-15(14)34(31,32)27-7-5-23)13-10-26-17(24)16(29-13)18(30)28-12-2-1-6-25-9-12/h1-4,6,8-10,27H,5,7,23H2,(H2,24,26)(H,28,30).
What are the key properties of 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 497.46 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-aminoethylsulfamoyl)-3-(trifluoromethoxy)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 10228597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).