3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide

C12H20N4O3S — CID 103307516

IUPAC3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CC(N)=O
InChIInChI=1S/C12H20N4O3S/c1-3-6-14-10-5-4-7-15-12(10)20(18,19)16-9(2)8-11(13)17/h4-5,7,9,14,16H,3,6,8H2,1-2H3,(H2,13,17)
InChIKeyZERRHEJGKIVOSY-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.45
Rot. Bonds8

About 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide

3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide (PubChem CID 103307516) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
PubChem CID103307516
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide
SMILESCCCNc1cccnc1S(=O)(=O)NC(C)CC(N)=O
InChIInChI=1S/C12H20N4O3S/c1-3-6-14-10-5-4-7-15-12(10)20(18,19)16-9(2)8-11(13)17/h4-5,7,9,14,16H,3,6,8H2,1-2H3,(H2,13,17)
InChIKeyZERRHEJGKIVOSY-UHFFFAOYSA-N
XLogP0.45
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103304534
N-(4-ethylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307693
N-methyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303712
N-(1-cyclobutylethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307553
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
N-(1-methylsulfanylbutan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103307489
N-(1-methoxypentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306201
N-(2,2-difluoroethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306685
N-(3-ethylpentan-3-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103306299
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-methyl-N-(4-methylpentan-2-yl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305537

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide?
The IUPAC name of 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide (CID 103307516) is 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide.
What is the SMILES notation for 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide?
The canonical SMILES for 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide is CCCNc1cccnc1S(=O)(=O)NC(C)CC(N)=O.
What is the InChIKey of 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide?
The InChIKey is ZERRHEJGKIVOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-6-14-10-5-4-7-15-12(10)20(18,19)16-9(2)8-11(13)17/h4-5,7,9,14,16H,3,6,8H2,1-2H3,(H2,13,17).
What are the key properties of 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide?
3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide has a molecular weight of 300.38 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(propylamino)-2-pyridinyl]sulfonylamino]butanamide is sourced from PubChem (CID 103307516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).