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

C15H22N6O2S — CID 58561211

IUPAC6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC2CCNC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-10-15(11(2)21(3)19-10)20-24(22,23)13-4-5-14(17-9-13)18-12-6-7-16-8-12/h4-5,9,12,16,20H,6-8H2,1-3H3,(H,17,18)
InChIKeyAENJMFIASYQQNJ-UHFFFAOYSA-N
MW350.45 g/mol
LogP1.01
Rot. Bonds5

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

6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561211) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561211
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC2CCNC2)nc1
InChIInChI=1S/C15H22N6O2S/c1-10-15(11(2)21(3)19-10)20-24(22,23)13-4-5-14(17-9-13)18-12-6-7-16-8-12/h4-5,9,12,16,20H,6-8H2,1-3H3,(H,17,18)
InChIKeyAENJMFIASYQQNJ-UHFFFAOYSA-N
XLogP1.01
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561211) is 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NC2CCNC2)nc1.
What is the InChIKey of 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is AENJMFIASYQQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-10-15(11(2)21(3)19-10)20-24(22,23)13-4-5-14(17-9-13)18-12-6-7-16-8-12/h4-5,9,12,16,20H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 350.45 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-3-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).