3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide

C13H22N4O3S — CID 106347089

IUPAC3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C(N)=O)C(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-4-7-15-11-6-5-10(8-16-11)21(19,20)17-12(9(2)3)13(14)18/h5-6,8-9,12,17H,4,7H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyNGINENGGTGUICL-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.69
Rot. Bonds8

About 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide

3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide (PubChem CID 106347089) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
PubChem CID106347089
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide
SMILESCCCNc1ccc(S(=O)(=O)NC(C(N)=O)C(C)C)cn1
InChIInChI=1S/C13H22N4O3S/c1-4-7-15-11-6-5-10(8-16-11)21(19,20)17-12(9(2)3)13(14)18/h5-6,8-9,12,17H,4,7H2,1-3H3,(H2,14,18)(H,15,16)
InChIKeyNGINENGGTGUICL-UHFFFAOYSA-N
XLogP0.69
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-hydrazinyl-3-pyridinyl)sulfonylamino]-3-methylbutanamide
CID 106346146
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
2-[[6-(ethylamino)-3-pyridinyl]sulfonylamino]propanamide
CID 62147681
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
2-[[5-chloro-6-(ethylamino)-3-pyridinyl]sulfonylamino]-3-methylbutanamide
CID 106347072
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
2-hydroxy-2-methyl-3-[[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]amino]propanoic acid
CID 122060999
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
6-(propylamino)-N-(thiatriazol-5-yl)pyridine-3-sulfonamide
CID 114914131
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
N-(4-fluorophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145210

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide?
The IUPAC name of 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide (CID 106347089) is 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide?
The canonical SMILES for 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide is CCCNc1ccc(S(=O)(=O)NC(C(N)=O)C(C)C)cn1.
What is the InChIKey of 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide?
The InChIKey is NGINENGGTGUICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-7-15-11-6-5-10(8-16-11)21(19,20)17-12(9(2)3)13(14)18/h5-6,8-9,12,17H,4,7H2,1-3H3,(H2,14,18)(H,15,16).
What are the key properties of 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide?
3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide has a molecular weight of 314.41 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[6-(propylamino)-3-pyridinyl]sulfonylamino]butanamide is sourced from PubChem (CID 106347089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).