N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide

C21H20Cl2N4O2 — CID 162428417

IUPACN-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(C1=CC=CCC1C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)cnn1
InChIInChI=1S/C21H20Cl2N4O2/c1-13-6-3-4-9-19(13)27(14(2)28)20-10-15(12-24-26-20)25-21(29)11-16-17(22)7-5-8-18(16)23/h3-5,7-10,12-13H,6,11H2,1-2H3,(H,25,26,29)
InChIKeyCTVXRAFMCQEYKL-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.80
Rot. Bonds5

About N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide

N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162428417) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162428417
Molecular FormulaC21H20Cl2N4O2
Molecular Weight431.32 g/mol
Exact Mass430.10
IUPAC NameN-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(C1=CC=CCC1C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)cnn1
InChIInChI=1S/C21H20Cl2N4O2/c1-13-6-3-4-9-19(13)27(14(2)28)20-10-15(12-24-26-20)25-21(29)11-16-17(22)7-5-8-18(16)23/h3-5,7-10,12-13H,6,11H2,1-2H3,(H,25,26,29)
InChIKeyCTVXRAFMCQEYKL-UHFFFAOYSA-N
XLogP4.80
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide 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

(S)-2-(4-chlorophenyl)-3-methyl-N-(pyridazin-3-yl)butanamide
CID 46226161
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
CID 154875995
N-(4-{2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-oxoethyl}phenyl)acetamide
CID 155146150
2-(2-Chloro-6-fluorophenyl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 53601797
1-(4-(5-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-2-phenylethanone
CID 71807495
(3-Chlorophenyl)(4-(5-(dimethylamino)pyridazin-3-yl)piperazin-1-yl)methanone
CID 71807493
N-(3-Chloro-4-methylphenyl)-4-[5-(dimethylamino)pyridazin-3-YL]piperazine-1-carboxamide
CID 71807500
2-(4-Chlorophenyl)-1-(4-(6-(pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)ethanone
CID 71807519
3-Chloro-N-(2-{[5-(pyrrolidin-1-YL)pyridazin-3-YL]amino}ethyl)benzamide
CID 71807476
N-[6-(N-acetyl-3,5-difluoroanilino)pyridazin-4-yl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162428145
N-[6-(N-acetyl-4-fluoroanilino)pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide
CID 162428146
2-(2-chloro-4-fluorophenyl)-N-[6-(4-fluoroanilino)pyridazin-4-yl]acetamide
CID 162428151

Frequently Asked Questions

What is the IUPAC name of N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide (CID 162428417) is N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)N(C1=CC=CCC1C)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)cnn1.
What is the InChIKey of N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is CTVXRAFMCQEYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c1-13-6-3-4-9-19(13)27(14(2)28)20-10-15(12-24-26-20)25-21(29)11-16-17(22)7-5-8-18(16)23/h3-5,7-10,12-13H,6,11H2,1-2H3,(H,25,26,29).
What are the key properties of N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide?
N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 431.32 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[acetyl-(6-methylcyclohexa-1,3-dien-1-yl)amino]pyridazin-4-yl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162428417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).