2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C17H15Cl3N4O2 — CID 56560968

IUPAC2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCc1nn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(=O)c(C#N)c1CC
InChIInChI=1S/C17H15Cl3N4O2/c1-3-10-11(7-21)17(26)24(23-14(10)4-2)8-15(25)22-16-12(19)5-9(18)6-13(16)20/h5-6H,3-4,8H2,1-2H3,(H,22,25)
InChIKeyCCUCYLOJRLDCKZ-UHFFFAOYSA-N
MW413.69 g/mol
LogP3.84
Rot. Bonds5

About 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 56560968) has the molecular formula C17H15Cl3N4O2 and a molecular weight of 413.69 g/mol. Its IUPAC name is 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID56560968
Molecular FormulaC17H15Cl3N4O2
Molecular Weight413.69 g/mol
Exact Mass412.03
IUPAC Name2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESCCc1nn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(=O)c(C#N)c1CC
InChIInChI=1S/C17H15Cl3N4O2/c1-3-10-11(7-21)17(26)24(23-14(10)4-2)8-15(25)22-16-12(19)5-9(18)6-13(16)20/h5-6H,3-4,8H2,1-2H3,(H,22,25)
InChIKeyCCUCYLOJRLDCKZ-UHFFFAOYSA-N
XLogP3.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.69
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 56560899
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8538150
5,6-diethyl-2-[[4-(hydroxymethyl)phenyl]methyl]-3-oxopyridazine-4-carbonitrile
CID 110005361
2-[2-(3-chlorophenyl)-2-hydroxyethyl]-5,6-diethyl-3-oxopyridazine-4-carbonitrile
CID 111476783
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,6-diethyl-3-oxopyridazine-4-carbonitrile
CID 56560616
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8894663
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
N-(2,4-dichloro-6-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 75501492
N-(2-amino-4,6-dichlorophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 61225560
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 56560968) is 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is CCc1nn(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(=O)c(C#N)c1CC.
What is the InChIKey of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is CCUCYLOJRLDCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N4O2/c1-3-10-11(7-21)17(26)24(23-14(10)4-2)8-15(25)22-16-12(19)5-9(18)6-13(16)20/h5-6H,3-4,8H2,1-2H3,(H,22,25).
What are the key properties of 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 413.69 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3,4-diethyl-6-oxopyridazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 56560968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).