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

C19H31N7O2S — CID 57402325

IUPAC6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(C)CC2)nc1
InChIInChI=1S/C19H31N7O2S/c1-15-19(16(2)25(4)22-15)23-29(27,28)17-6-7-18(21-14-17)20-8-5-9-26-12-10-24(3)11-13-26/h6-7,14,23H,5,8-13H2,1-4H3,(H,20,21)
InChIKeyVCBSTZQLEZNXPL-UHFFFAOYSA-N
MW421.57 g/mol
LogP1.28
Rot. Bonds8

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

6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57402325) has the molecular formula C19H31N7O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57402325
Molecular FormulaC19H31N7O2S
Molecular Weight421.57 g/mol
Exact Mass421.23
IUPAC Name6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(C)CC2)nc1
InChIInChI=1S/C19H31N7O2S/c1-15-19(16(2)25(4)22-15)23-29(27,28)17-6-7-18(21-14-17)20-8-5-9-26-12-10-24(3)11-13-26/h6-7,14,23H,5,8-13H2,1-4H3,(H,20,21)
InChIKeyVCBSTZQLEZNXPL-UHFFFAOYSA-N
XLogP1.28
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57402325) is 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCN2CCN(C)CC2)nc1.
What is the InChIKey of 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is VCBSTZQLEZNXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O2S/c1-15-19(16(2)25(4)22-15)23-29(27,28)17-6-7-18(21-14-17)20-8-5-9-26-12-10-24(3)11-13-26/h6-7,14,23H,5,8-13H2,1-4H3,(H,20,21).
What are the key properties of 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 421.57 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperazin-1-yl)propylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57402325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).