N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide

C19H19N5O4S — CID 21186220

IUPACN-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N5O4S/c1-12-11-21-18(19(22-12)28-3)24-29(26,27)16-5-4-10-20-17(16)14-6-8-15(9-7-14)23-13(2)25/h4-11H,1-3H3,(H,21,24)(H,23,25)
InChIKeyDQBHQCKZHBJKGN-UHFFFAOYSA-N
MW413.46 g/mol
LogP2.61
Rot. Bonds6

About N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide

N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide (PubChem CID 21186220) has the molecular formula C19H19N5O4S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide
PubChem CID21186220
Molecular FormulaC19H19N5O4S
Molecular Weight413.46 g/mol
Exact Mass413.12
IUPAC NameN-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C19H19N5O4S/c1-12-11-21-18(19(22-12)28-3)24-29(26,27)16-5-4-10-20-17(16)14-6-8-15(9-7-14)23-13(2)25/h4-11H,1-3H3,(H,21,24)(H,23,25)
InChIKeyDQBHQCKZHBJKGN-UHFFFAOYSA-N
XLogP2.61
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide 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-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide (CID 21186220) is N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide?
The InChIKey is DQBHQCKZHBJKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4S/c1-12-11-21-18(19(22-12)28-3)24-29(26,27)16-5-4-10-20-17(16)14-6-8-15(9-7-14)23-13(2)25/h4-11H,1-3H3,(H,21,24)(H,23,25).
What are the key properties of N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide?
N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide has a molecular weight of 413.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-2-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 21186220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).