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

C21H23N5O4S — CID 23075756

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)C)nc2OCc2cccnc2)cc1
InChIInChI=1S/C21H23N5O4S/c1-14(2)24-20(27)18-12-23-19(21(25-18)30-13-16-5-4-10-22-11-16)26-31(28,29)17-8-6-15(3)7-9-17/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyZFWOQGMFRGCASY-UHFFFAOYSA-N
MW441.51 g/mol
LogP2.70
Rot. Bonds8

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

5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (PubChem CID 23075756) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
PubChem CID23075756
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)C)nc2OCc2cccnc2)cc1
InChIInChI=1S/C21H23N5O4S/c1-14(2)24-20(27)18-12-23-19(21(25-18)30-13-16-5-4-10-22-11-16)26-31(28,29)17-8-6-15(3)7-9-17/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyZFWOQGMFRGCASY-UHFFFAOYSA-N
XLogP2.70
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide (CID 23075756) is 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ncc(C(=O)NC(C)C)nc2OCc2cccnc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
The InChIKey is ZFWOQGMFRGCASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c1-14(2)24-20(27)18-12-23-19(21(25-18)30-13-16-5-4-10-22-11-16)26-31(28,29)17-8-6-15(3)7-9-17/h4-12,14H,13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 2.70, 8 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-propan-2-yl-6-(pyridin-3-ylmethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 23075756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).