2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide

C15H15ClF2N4O2 — CID 55831832

IUPAC2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cnn(-c2ccc(F)cc2F)c(=O)c1Cl
InChIInChI=1S/C15H15ClF2N4O2/c1-20(2)13(23)8-21(3)12-7-19-22(15(24)14(12)16)11-5-4-9(17)6-10(11)18/h4-7H,8H2,1-3H3
InChIKeyZIIYXZDHWAQQTG-UHFFFAOYSA-N
MW356.76 g/mol
LogP1.69
Rot. Bonds4

About 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide

2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 55831832) has the molecular formula C15H15ClF2N4O2 and a molecular weight of 356.76 g/mol. Its IUPAC name is 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID55831832
Molecular FormulaC15H15ClF2N4O2
Molecular Weight356.76 g/mol
Exact Mass356.09
IUPAC Name2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1cnn(-c2ccc(F)cc2F)c(=O)c1Cl
InChIInChI=1S/C15H15ClF2N4O2/c1-20(2)13(23)8-21(3)12-7-19-22(15(24)14(12)16)11-5-4-9(17)6-10(11)18/h4-7H,8H2,1-3H3
InChIKeyZIIYXZDHWAQQTG-UHFFFAOYSA-N
XLogP1.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
CID 133382272
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
CID 55832917
(2S)-2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122050240
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 56585217
tert-butyl N-[1-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86777153
methyl 2-[5-chloro-4-[methyl(2-methylprop-2-enyl)amino]-6-oxopyridazin-1-yl]benzoate
CID 133439078
4-chloro-2-(2,4-difluorophenyl)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 55832806
4-chloro-2-(2,4-difluorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
3-chloro-N'-[5-chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-N',2,2-trimethylpropanehydrazide
CID 2774919

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide (CID 55831832) is 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1cnn(-c2ccc(F)cc2F)c(=O)c1Cl.
What is the InChIKey of 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is ZIIYXZDHWAQQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N4O2/c1-20(2)13(23)8-21(3)12-7-19-22(15(24)14(12)16)11-5-4-9(17)6-10(11)18/h4-7H,8H2,1-3H3.
What are the key properties of 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide?
2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 356.76 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55831832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).