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

C12H20N4O3S — CID 62151211

IUPAC2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C12H20N4O3S/c1-4-7-15-12(17)9(2)16-20(18,19)10-6-5-8-14-11(10)13-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyNRYSPMDQKFYOQE-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.32
Rot. Bonds7

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

2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide (PubChem CID 62151211) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
PubChem CID62151211
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1cccnc1NC
InChIInChI=1S/C12H20N4O3S/c1-4-7-15-12(17)9(2)16-20(18,19)10-6-5-8-14-11(10)13-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyNRYSPMDQKFYOQE-UHFFFAOYSA-N
XLogP0.32
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

N-ethyl-2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62152812
N-methyl-2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62159401
2-[(2-chloro-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 60716062
2-[(3-methylsulfonyl-2-pyridinyl)amino]-N-propylpropanamide
CID 114598760
(2S)-N-ethyl-2-(quinolin-5-ylsulfonylamino)propanamide
CID 94812620
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
2-[(3-fluoro-2-pyridinyl)amino]-N-propylpropanamide
CID 62733234
N-(5-methylhexan-2-yl)-2-(propylamino)pyridine-3-sulfonamide
CID 63925751
2-(methylamino)-N-(4-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
CID 113478168
N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide (CID 62151211) is 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1cccnc1NC.
What is the InChIKey of 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide?
The InChIKey is NRYSPMDQKFYOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-7-15-12(17)9(2)16-20(18,19)10-6-5-8-14-11(10)13-3/h5-6,8-9,16H,4,7H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide?
2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-3-pyridinyl]sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 62151211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).