N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C20H19ClN4O2 — CID 113047933

IUPACN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-13-3-5-14(6-4-13)11-20(26)23-19-10-9-18(24-25-19)22-15-7-8-17(27-2)16(21)12-15/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyJMLUDTATDBJKPX-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.37
Rot. Bonds6

About N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113047933) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113047933
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCOc1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1Cl
InChIInChI=1S/C20H19ClN4O2/c1-13-3-5-14(6-4-13)11-20(26)23-19-10-9-18(24-25-19)22-15-7-8-17(27-2)16(21)12-15/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyJMLUDTATDBJKPX-UHFFFAOYSA-N
XLogP4.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-[(3,4-dimethoxyphenyl)methylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113043378
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113047843

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113047933) is N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is COc1ccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)nn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is JMLUDTATDBJKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-3-5-14(6-4-13)11-20(26)23-19-10-9-18(24-25-19)22-15-7-8-17(27-2)16(21)12-15/h3-10,12H,11H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 382.85 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113047933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).