6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide

C20H20N6O2S — CID 133300354

IUPAC6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nc1
InChIInChI=1S/C20H20N6O2S/c1-22-29(27,28)16-6-7-19(24-14-16)25-8-10-26(11-9-25)20-15(12-21)13-23-18-5-3-2-4-17(18)20/h2-7,13-14,22H,8-11H2,1H3
InChIKeyNUEPSZIQOHPZBC-UHFFFAOYSA-N
MW408.49 g/mol
LogP1.74
Rot. Bonds4

About 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide

6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide (PubChem CID 133300354) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
PubChem CID133300354
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nc1
InChIInChI=1S/C20H20N6O2S/c1-22-29(27,28)16-6-7-19(24-14-16)25-8-10-26(11-9-25)20-15(12-21)13-23-18-5-3-2-4-17(18)20/h2-7,13-14,22H,8-11H2,1H3
InChIKeyNUEPSZIQOHPZBC-UHFFFAOYSA-N
XLogP1.74
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide (CID 133300354) is 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)nc1.
What is the InChIKey of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
The InChIKey is NUEPSZIQOHPZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-22-29(27,28)16-6-7-19(24-14-16)25-8-10-26(11-9-25)20-15(12-21)13-23-18-5-3-2-4-17(18)20/h2-7,13-14,22H,8-11H2,1H3.
What are the key properties of 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide?
6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide has a molecular weight of 408.49 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-cyanoquinolin-4-yl)piperazin-1-yl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133300354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).