5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

C13H23BrN4O2S — CID 106070818

IUPAC5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H23BrN4O2S/c1-4-6-15-7-5-8-18(3)21(19,20)17-13-9-11(2)12(14)10-16-13/h9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyAZWSZAVDMMDRIN-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.13
Rot. Bonds9

About 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine

5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (PubChem CID 106070818) has the molecular formula C13H23BrN4O2S and a molecular weight of 379.32 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
PubChem CID106070818
Molecular FormulaC13H23BrN4O2S
Molecular Weight379.32 g/mol
Exact Mass378.07
IUPAC Name5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
SMILESCCCNCCCN(C)S(=O)(=O)Nc1cc(C)c(Br)cn1
InChIInChI=1S/C13H23BrN4O2S/c1-4-6-15-7-5-8-18(3)21(19,20)17-13-9-11(2)12(14)10-16-13/h9-10,15H,4-8H2,1-3H3,(H,16,17)
InChIKeyAZWSZAVDMMDRIN-UHFFFAOYSA-N
XLogP2.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106082471
N'-(5-bromo-4-methyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114869496
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
2-chloro-1-methyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106039174
2,6-dimethyl-3-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine
CID 106071151
1-chloro-3-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]benzene
CID 106070684
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
2,5-dibromo-N-(5-bromo-4-methyl-2-pyridinyl)benzenesulfonamide
CID 79729131
5-bromo-4-methyl-N-pentylpyridin-2-amine
CID 70003079
5-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpyridine
CID 106073291
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]pyrimidine
CID 114141697
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The IUPAC name of 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine (CID 106070818) is 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine.
What is the SMILES notation for 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The canonical SMILES for 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is CCCNCCCN(C)S(=O)(=O)Nc1cc(C)c(Br)cn1.
What is the InChIKey of 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
The InChIKey is AZWSZAVDMMDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O2S/c1-4-6-15-7-5-8-18(3)21(19,20)17-13-9-11(2)12(14)10-16-13/h9-10,15H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine?
5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine has a molecular weight of 379.32 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]pyridine is sourced from PubChem (CID 106070818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).