6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C20H25N5O2S — CID 58561391

IUPAC6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C20H25N5O2S/c1-15-20(16(2)25(3)23-15)24-28(26,27)18-11-12-19(22-14-18)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,24H,7,10,13H2,1-3H3,(H,21,22)
InChIKeyQTCVOMFLUNCUJO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.28
Rot. Bonds8

About 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561391) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561391
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C20H25N5O2S/c1-15-20(16(2)25(3)23-15)24-28(26,27)18-11-12-19(22-14-18)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,24H,7,10,13H2,1-3H3,(H,21,22)
InChIKeyQTCVOMFLUNCUJO-UHFFFAOYSA-N
XLogP3.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561391) is 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is QTCVOMFLUNCUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15-20(16(2)25(3)23-15)24-28(26,27)18-11-12-19(22-14-18)21-13-7-10-17-8-5-4-6-9-17/h4-6,8-9,11-12,14,24H,7,10,13H2,1-3H3,(H,21,22).
What are the key properties of 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).