2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide

C20H19ClN4O3 — CID 113048759

IUPAC2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-17(28-2)16(12-15)22-18-9-10-19(25-24-18)23-20(26)11-13-3-5-14(21)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyLESNWHLMGVLYPV-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.07
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide

2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide (PubChem CID 113048759) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
PubChem CID113048759
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C20H19ClN4O3/c1-27-15-7-8-17(28-2)16(12-15)22-18-9-10-19(25-24-18)23-20(26)11-13-3-5-14(21)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyLESNWHLMGVLYPV-UHFFFAOYSA-N
XLogP4.07
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113019975
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047956
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113048755
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-(3-chlorophenyl)-6-(2,5-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128702
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
2-(4-chlorophenyl)-N-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 23096738

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide (CID 113048759) is 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide is COc1ccc(OC)c(Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide?
The InChIKey is LESNWHLMGVLYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-27-15-7-8-17(28-2)16(12-15)22-18-9-10-19(25-24-18)23-20(26)11-13-3-5-14(21)6-4-13/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide?
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide has a molecular weight of 398.85 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113048759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).