N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide

C24H24N6O3S — CID 24823526

IUPACN-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3ccccn3)c2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H24N6O3S/c1-24(2,22-16-27-30-28-22)29-34(32,33)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-26-23(31)21-8-3-4-13-25-21/h3-14,16,29H,15H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyPQFINZUBLSKUEZ-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.01
Rot. Bonds8

About N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide

N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide (PubChem CID 24823526) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
PubChem CID24823526
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC NameN-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide
SMILESCC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3ccccn3)c2)cc1)c1cn[nH]n1
InChIInChI=1S/C24H24N6O3S/c1-24(2,22-16-27-30-28-22)29-34(32,33)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-26-23(31)21-8-3-4-13-25-21/h3-14,16,29H,15H2,1-2H3,(H,26,31)(H,27,28,30)
InChIKeyPQFINZUBLSKUEZ-UHFFFAOYSA-N
XLogP3.01
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-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 N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide (CID 24823526) is N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide is CC(C)(NS(=O)(=O)c1ccc(-c2cccc(CNC(=O)c3ccccn3)c2)cc1)c1cn[nH]n1.
What is the InChIKey of N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is PQFINZUBLSKUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-24(2,22-16-27-30-28-22)29-34(32,33)20-11-9-18(10-12-20)19-7-5-6-17(14-19)15-26-23(31)21-8-3-4-13-25-21/h3-14,16,29H,15H2,1-2H3,(H,26,31)(H,27,28,30).
What are the key properties of N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide?
N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 24823526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).