6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C20H33N7O2S — CID 58561130

IUPAC6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCC(N(C)C)C2)nc1
InChIInChI=1S/C20H33N7O2S/c1-15-20(16(2)26(5)23-15)24-30(28,29)18-7-8-19(22-13-18)21-10-6-11-27-12-9-17(14-27)25(3)4/h7-8,13,17,24H,6,9-12,14H2,1-5H3,(H,21,22)
InChIKeySDJIALPIKLYWLZ-UHFFFAOYSA-N
MW435.60 g/mol
LogP1.67
Rot. Bonds9

About 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561130) has the molecular formula C20H33N7O2S and a molecular weight of 435.60 g/mol. Its IUPAC name is 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561130
Molecular FormulaC20H33N7O2S
Molecular Weight435.60 g/mol
Exact Mass435.24
IUPAC Name6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCC(N(C)C)C2)nc1
InChIInChI=1S/C20H33N7O2S/c1-15-20(16(2)26(5)23-15)24-30(28,29)18-7-8-19(22-13-18)21-10-6-11-27-12-9-17(14-27)25(3)4/h7-8,13,17,24H,6,9-12,14H2,1-5H3,(H,21,22)
InChIKeySDJIALPIKLYWLZ-UHFFFAOYSA-N
XLogP1.67
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide with MolForge

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Related Compounds

6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
US9156811, Ddd85624
CID 57393582
US9156811, Ddd87757
CID 57395296
US9156811, Ddd86298
CID 57397062
US9156811, Ddd86301
CID 57397063
US9156811, Ddd88000
CID 57398842
US9156811, Ddd88008
CID 57398843
US9156811, Ddd85627
CID 57402325
US9156811, Ddd86305
CID 57404042
US9156811, Ddd86310
CID 57404043
US9156811, Ddd87763
CID 58561340
US9156811, Ddd87748
CID 58561108

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561130) is 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCC(N(C)C)C2)nc1.
What is the InChIKey of 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is SDJIALPIKLYWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O2S/c1-15-20(16(2)26(5)23-15)24-30(28,29)18-7-8-19(22-13-18)21-10-6-11-27-12-9-17(14-27)25(3)4/h7-8,13,17,24H,6,9-12,14H2,1-5H3,(H,21,22).
What are the key properties of 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 435.60 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-(dimethylamino)pyrrolidin-1-yl]propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).