3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione

C13H17BrN4O3 — CID 114439706

IUPAC3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCCn1ncc(NC2CCC(=O)N(C)C2=O)c(Br)c1=O
InChIInChI=1S/C13H17BrN4O3/c1-3-6-18-13(21)11(14)9(7-15-18)16-8-4-5-10(19)17(2)12(8)20/h7-8,16H,3-6H2,1-2H3
InChIKeyWSOUAARUEHBDHT-UHFFFAOYSA-N
MW357.21 g/mol
LogP0.98
Rot. Bonds4

About 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 114439706) has the molecular formula C13H17BrN4O3 and a molecular weight of 357.21 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID114439706
Molecular FormulaC13H17BrN4O3
Molecular Weight357.21 g/mol
Exact Mass356.05
IUPAC Name3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCCn1ncc(NC2CCC(=O)N(C)C2=O)c(Br)c1=O
InChIInChI=1S/C13H17BrN4O3/c1-3-6-18-13(21)11(14)9(7-15-18)16-8-4-5-10(19)17(2)12(8)20/h7-8,16H,3-6H2,1-2H3
InChIKeyWSOUAARUEHBDHT-UHFFFAOYSA-N
XLogP0.98
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propylpyridazin-3-one
CID 106361979
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propylpyridazin-3-one
CID 104922056
4-bromo-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438997
4-bromo-5-(1-cyclopentylethylamino)-2-propylpyridazin-3-one
CID 114438460
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436813
4-bromo-5-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114439333
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 114439706) is 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione is CCCn1ncc(NC2CCC(=O)N(C)C2=O)c(Br)c1=O.
What is the InChIKey of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is WSOUAARUEHBDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O3/c1-3-6-18-13(21)11(14)9(7-15-18)16-8-4-5-10(19)17(2)12(8)20/h7-8,16H,3-6H2,1-2H3.
What are the key properties of 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 357.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 114439706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).