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

C14H23BrN4O2 — CID 114441459

IUPAC2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
SMILESCCCCn1ncc(NCC(=O)N(CC)CC)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-4-7-8-19-14(21)13(15)11(9-17-19)16-10-12(20)18(5-2)6-3/h9,16H,4-8,10H2,1-3H3
InChIKeyAVHLGYVUZLEZJA-UHFFFAOYSA-N
MW359.27 g/mol
LogP2.09
Rot. Bonds8

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

2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide (PubChem CID 114441459) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
PubChem CID114441459
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
SMILESCCCCn1ncc(NCC(=O)N(CC)CC)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-4-7-8-19-14(21)13(15)11(9-17-19)16-10-12(20)18(5-2)6-3/h9,16H,4-8,10H2,1-3H3
InChIKeyAVHLGYVUZLEZJA-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
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
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
4-bromo-2-butyl-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]pyridazin-3-one
CID 106149044
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one
CID 114439301
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-2-butyl-5-[(1-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114438893

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide (CID 114441459) is 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide is CCCCn1ncc(NCC(=O)N(CC)CC)c(Br)c1=O.
What is the InChIKey of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide?
The InChIKey is AVHLGYVUZLEZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-4-7-8-19-14(21)13(15)11(9-17-19)16-10-12(20)18(5-2)6-3/h9,16H,4-8,10H2,1-3H3.
What are the key properties of 2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide?
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide has a molecular weight of 359.27 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 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,N-diethylacetamide is sourced from PubChem (CID 114441459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).