N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide

C19H17FN4O — CID 113049983

IUPACN-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nn2)c1
InChIInChI=1S/C19H17FN4O/c1-13-4-2-5-14(10-13)11-19(25)22-18-9-8-17(23-24-18)21-16-7-3-6-15(20)12-16/h2-10,12H,11H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyFMJAWBOKNHLSNW-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.85
Rot. Bonds5

About N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide

N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 113049983) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID113049983
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nn2)c1
InChIInChI=1S/C19H17FN4O/c1-13-4-2-5-14(10-13)11-19(25)22-18-9-8-17(23-24-18)21-16-7-3-6-15(20)12-16/h2-10,12H,11H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyFMJAWBOKNHLSNW-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113047565
2-(3-fluorophenyl)-N-[5-(3-methylanilino)-2-pyridinyl]acetamide
CID 113031460
methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049498
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
CID 113049942
2-(3-fluorophenyl)-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]acetamide
CID 113049731
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041016

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (CID 113049983) is N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3cccc(F)c3)nn2)c1.
What is the InChIKey of N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is FMJAWBOKNHLSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-4-2-5-14(10-13)11-19(25)22-18-9-8-17(23-24-18)21-16-7-3-6-15(20)12-16/h2-10,12H,11H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 336.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113049983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).