2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide

C13H21BrN4O2 — CID 114433642

IUPAC2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
SMILESCCCCn1ncc(NCC(=O)NCCC)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O2/c1-3-5-7-18-13(20)12(14)10(8-17-18)16-9-11(19)15-6-4-2/h8,16H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyKSNBBJUXOFFLDD-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.74
Rot. Bonds8

About 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide

2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide (PubChem CID 114433642) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
PubChem CID114433642
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
SMILESCCCCn1ncc(NCC(=O)NCCC)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O2/c1-3-5-7-18-13(20)12(14)10(8-17-18)16-9-11(19)15-6-4-2/h8,16H,3-7,9H2,1-2H3,(H,15,19)
InChIKeyKSNBBJUXOFFLDD-UHFFFAOYSA-N
XLogP1.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[5-bromo-6-oxo-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridazin-1-yl]acetate
CID 114433633
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436551
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436554
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
CID 114433599
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide (CID 114433642) is 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide is CCCCn1ncc(NCC(=O)NCCC)c(Br)c1=O.
What is the InChIKey of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide?
The InChIKey is KSNBBJUXOFFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-3-5-7-18-13(20)12(14)10(8-17-18)16-9-11(19)15-6-4-2/h8,16H,3-7,9H2,1-2H3,(H,15,19).
What are the key properties of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide?
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide has a molecular weight of 345.24 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide is sourced from PubChem (CID 114433642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).