N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide

C20H20N4O3S — CID 21186354

IUPACN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide
SMILESC=CCc1ccc(-c2ncccc2S(=O)(=O)Nc2ncc(C)nc2OC)cc1
InChIInChI=1S/C20H20N4O3S/c1-4-6-15-8-10-16(11-9-15)18-17(7-5-12-21-18)28(25,26)24-19-20(27-3)23-14(2)13-22-19/h4-5,7-13H,1,6H2,2-3H3,(H,22,24)
InChIKeyVNNHJAXEHNUVFV-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.38
Rot. Bonds7

About N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide

N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide (PubChem CID 21186354) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide
PubChem CID21186354
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide
SMILESC=CCc1ccc(-c2ncccc2S(=O)(=O)Nc2ncc(C)nc2OC)cc1
InChIInChI=1S/C20H20N4O3S/c1-4-6-15-8-10-16(11-9-15)18-17(7-5-12-21-18)28(25,26)24-19-20(27-3)23-14(2)13-22-19/h4-5,7-13H,1,6H2,2-3H3,(H,22,24)
InChIKeyVNNHJAXEHNUVFV-UHFFFAOYSA-N
XLogP3.38
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide (CID 21186354) is N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide is C=CCc1ccc(-c2ncccc2S(=O)(=O)Nc2ncc(C)nc2OC)cc1.
What is the InChIKey of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide?
The InChIKey is VNNHJAXEHNUVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-4-6-15-8-10-16(11-9-15)18-17(7-5-12-21-18)28(25,26)24-19-20(27-3)23-14(2)13-22-19/h4-5,7-13H,1,6H2,2-3H3,(H,22,24).
What are the key properties of N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide?
N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-prop-2-enylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 21186354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).