N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide

C20H18FN5O2 — CID 113049292

IUPACN-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H18FN5O2/c1-13(27)22-16-6-8-17(9-7-16)23-18-10-11-19(26-25-18)24-20(28)12-14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,27)(H,23,25)(H,24,26,28)
InChIKeyJBYKWJUPDMOMMF-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.50
Rot. Bonds6

About N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 113049292) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID113049292
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C20H18FN5O2/c1-13(27)22-16-6-8-17(9-7-16)23-18-10-11-19(26-25-18)24-20(28)12-14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,27)(H,23,25)(H,24,26,28)
InChIKeyJBYKWJUPDMOMMF-UHFFFAOYSA-N
XLogP3.50
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
2-(4-fluorophenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037819
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
2-(4-chlorophenyl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]acetamide
CID 56919650
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide (CID 113049292) is N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide is CC(=O)Nc1ccc(Nc2ccc(NC(=O)Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is JBYKWJUPDMOMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(27)22-16-6-8-17(9-7-16)23-18-10-11-19(26-25-18)24-20(28)12-14-2-4-15(21)5-3-14/h2-11H,12H2,1H3,(H,22,27)(H,23,25)(H,24,26,28).
What are the key properties of N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide?
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 379.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113049292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).