3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide

C22H25N7O3S — CID 10164180

IUPAC3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H25N7O3S/c23-21-20(22(30)27-17-4-3-9-24-14-17)28-19(15-25-21)16-5-7-18(8-6-16)33(31,32)26-10-13-29-11-1-2-12-29/h3-9,14-15,26H,1-2,10-13H2,(H2,23,25)(H,27,30)
InChIKeyWDGGSMKLBWXADC-UHFFFAOYSA-N
MW467.56 g/mol
LogP1.75
Rot. Bonds8

About 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide

3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide (PubChem CID 10164180) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide
PubChem CID10164180
Molecular FormulaC22H25N7O3S
Molecular Weight467.56 g/mol
Exact Mass467.17
IUPAC Name3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1
InChIInChI=1S/C22H25N7O3S/c23-21-20(22(30)27-17-4-3-9-24-14-17)28-19(15-25-21)16-5-7-18(8-6-16)33(31,32)26-10-13-29-11-1-2-12-29/h3-9,14-15,26H,1-2,10-13H2,(H2,23,25)(H,27,30)
InChIKeyWDGGSMKLBWXADC-UHFFFAOYSA-N
XLogP1.75
TPSA143.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide (CID 10164180) is 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2ccc(S(=O)(=O)NCCN3CCCC3)cc2)nc1C(=O)Nc1cccnc1.
What is the InChIKey of 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is WDGGSMKLBWXADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c23-21-20(22(30)27-17-4-3-9-24-14-17)28-19(15-25-21)16-5-7-18(8-6-16)33(31,32)26-10-13-29-11-1-2-12-29/h3-9,14-15,26H,1-2,10-13H2,(H2,23,25)(H,27,30).
What are the key properties of 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide?
3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 467.56 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pyridin-3-yl-6-[4-(2-pyrrolidin-1-ylethylsulfamoyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10164180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).