N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

C21H23N5O5S — CID 23075745

IUPACN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C21H23N5O5S/c1-15-5-7-17(8-6-15)32(28,29)26-19-21(31-14-16-4-3-9-22-12-16)25-18(13-24-19)20(27)23-10-11-30-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQRPKFMJFOXDFLZ-UHFFFAOYSA-N
MW457.51 g/mol
LogP1.94
Rot. Bonds10

About N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide

N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075745) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075745
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC NameN-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCOCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C21H23N5O5S/c1-15-5-7-17(8-6-15)32(28,29)26-19-21(31-14-16-4-3-9-22-12-16)25-18(13-24-19)20(27)23-10-11-30-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyQRPKFMJFOXDFLZ-UHFFFAOYSA-N
XLogP1.94
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)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 N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075745) is N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is COCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is QRPKFMJFOXDFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-15-5-7-17(8-6-15)32(28,29)26-19-21(31-14-16-4-3-9-22-12-16)25-18(13-24-19)20(27)23-10-11-30-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methylphenyl)sulfonylamino]-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).