2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C16H16Cl2N4O3 — CID 2439209

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C16H16Cl2N4O3/c1-10-3-5-11(6-4-10)20-13(23)8-21(2)14(24)9-22-16(25)15(18)12(17)7-19-22/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyIOJBBOQIPQPVEF-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.96
Rot. Bonds5

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 2439209) has the molecular formula C16H16Cl2N4O3 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID2439209
Molecular FormulaC16H16Cl2N4O3
Molecular Weight383.24 g/mol
Exact Mass382.06
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C16H16Cl2N4O3/c1-10-3-5-11(6-4-10)20-13(23)8-21(2)14(24)9-22-16(25)15(18)12(17)7-19-22/h3-7H,8-9H2,1-2H3,(H,20,23)
InChIKeyIOJBBOQIPQPVEF-UHFFFAOYSA-N
XLogP1.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide with MolForge

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Related Compounds

4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one
CID 162624743
5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
CID 163249386
4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one
CID 164621108
Bptf-IN-BZ1
CID 162640908
N-(5-Chloro-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)acetamide
CID 540571
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 4826948
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 4793924
5-[2-(Aminomethyl)anilino]-4-chloro-2-methylpyridazin-3-one
CID 137661043
5-[3-(Aminomethyl)anilino]-4-chloro-2-methylpyridazin-3-one
CID 164610239
4-Chloro-5-[4-[3-(dimethylamino)propyl]anilino]-2-methylpyridazin-3-one
CID 164615489
5-[4-(Aminomethyl)anilino]-4-chloro-2-ethylpyridazin-3-one
CID 164628030
N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide
CID 164629145

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 2439209) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is IOJBBOQIPQPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3/c1-10-3-5-11(6-4-10)20-13(23)8-21(2)14(24)9-22-16(25)15(18)12(17)7-19-22/h3-7H,8-9H2,1-2H3,(H,20,23).
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 383.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 2439209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).