3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide

C12H20N4O3S — CID 62152220

IUPAC3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H20N4O3S/c1-3-6-15-12(17)5-8-16-20(18,19)10-4-7-14-11(9-10)13-2/h4,7,9,16H,3,5-6,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyQQSVMSGHPNRESK-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.32
Rot. Bonds8

About 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide

3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide (PubChem CID 62152220) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
PubChem CID62152220
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccnc(NC)c1
InChIInChI=1S/C12H20N4O3S/c1-3-6-15-12(17)5-8-16-20(18,19)10-4-7-14-11(9-10)13-2/h4,7,9,16H,3,5-6,8H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyQQSVMSGHPNRESK-UHFFFAOYSA-N
XLogP0.32
TPSA100.19 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 ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide 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-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
3-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 64608415
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
CID 106049745
N-[4-(dimethylamino)butyl]-2-(propylamino)pyridine-4-sulfonamide
CID 62159155
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-(2-ethoxy-2-methylpropyl)-2-(methylamino)pyridine-4-sulfonamide
CID 114944043

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide (CID 62152220) is 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1ccnc(NC)c1.
What is the InChIKey of 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide?
The InChIKey is QQSVMSGHPNRESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-6-15-12(17)5-8-16-20(18,19)10-4-7-14-11(9-10)13-2/h4,7,9,16H,3,5-6,8H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide?
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 62152220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).