N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide

C20H22N4O4S — CID 21186279

IUPACN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N4O4S/c1-13(2)28-16-9-7-15(8-10-16)18-17(6-5-11-21-18)29(25,26)24-19-20(27-4)23-14(3)12-22-19/h5-13H,1-4H3,(H,22,24)
InChIKeyCIPAYWQGQUQKDT-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.44
Rot. Bonds7

About N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide

N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide (PubChem CID 21186279) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide
PubChem CID21186279
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H22N4O4S/c1-13(2)28-16-9-7-15(8-10-16)18-17(6-5-11-21-18)29(25,26)24-19-20(27-4)23-14(3)12-22-19/h5-13H,1-4H3,(H,22,24)
InChIKeyCIPAYWQGQUQKDT-UHFFFAOYSA-N
XLogP3.44
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide (CID 21186279) is N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide?
The InChIKey is CIPAYWQGQUQKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13(2)28-16-9-7-15(8-10-16)18-17(6-5-11-21-18)29(25,26)24-19-20(27-4)23-14(3)12-22-19/h5-13H,1-4H3,(H,22,24).
What are the key properties of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide?
N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide has a molecular weight of 414.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-propan-2-yloxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 21186279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).