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

C23H27N5O4S — CID 23075791

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C23H27N5O4S/c1-3-4-5-13-25-22(29)20-15-26-21(23(27-20)32-16-18-7-6-12-24-14-18)28-33(30,31)19-10-8-17(2)9-11-19/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyUSHSRKYTFRORQD-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.48
Rot. Bonds11

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

5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075791) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075791
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCCCCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1
InChIInChI=1S/C23H27N5O4S/c1-3-4-5-13-25-22(29)20-15-26-21(23(27-20)32-16-18-7-6-12-24-14-18)28-33(30,31)19-10-8-17(2)9-11-19/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyUSHSRKYTFRORQD-UHFFFAOYSA-N
XLogP3.48
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075791) is 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is CCCCCNC(=O)c1cnc(NS(=O)(=O)c2ccc(C)cc2)c(OCc2cccnc2)n1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is USHSRKYTFRORQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4S/c1-3-4-5-13-25-22(29)20-15-26-21(23(27-20)32-16-18-7-6-12-24-14-18)28-33(30,31)19-10-8-17(2)9-11-19/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 469.57 g/mol, XLogP of 3.48, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-pentyl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).