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

C16H26N6O2S — CID 57393583

IUPAC6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H26N6O2S/c1-12-16(13(2)22(5)19-12)20-25(23,24)14-7-8-15(18-11-14)17-9-6-10-21(3)4/h7-8,11,20H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyKZMZIUKHHNRIMU-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.60
Rot. Bonds8

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

6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57393583) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57393583
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC Name6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN(C)C)nc1
InChIInChI=1S/C16H26N6O2S/c1-12-16(13(2)22(5)19-12)20-25(23,24)14-7-8-15(18-11-14)17-9-6-10-21(3)4/h7-8,11,20H,6,9-10H2,1-5H3,(H,17,18)
InChIKeyKZMZIUKHHNRIMU-UHFFFAOYSA-N
XLogP1.60
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57393583) is 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN(C)C)nc1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is KZMZIUKHHNRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-12-16(13(2)22(5)19-12)20-25(23,24)14-7-8-15(18-11-14)17-9-6-10-21(3)4/h7-8,11,20H,6,9-10H2,1-5H3,(H,17,18).
What are the key properties of 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 366.49 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57393583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).