N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide

C18H15FN4O — CID 113049942

IUPACN-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)nn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-5-7-13(8-6-12)18(24)21-17-10-9-16(22-23-17)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyGYJYROGGYNCIQS-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.92
Rot. Bonds4

About N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide

N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide (PubChem CID 113049942) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
PubChem CID113049942
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC NameN-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)nn2)cc1
InChIInChI=1S/C18H15FN4O/c1-12-5-7-13(8-6-12)18(24)21-17-10-9-16(22-23-17)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,22)(H,21,23,24)
InChIKeyGYJYROGGYNCIQS-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluoroanilino)-2-pyridinyl]-4-methylbenzamide
CID 113035866
N-[6-(3-acetylanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113049056
3-chloro-N-[6-(3-fluoroanilino)pyridazin-3-yl]benzamide
CID 113049968
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760
N-[6-(3-acetylanilino)pyridazin-3-yl]-4-tert-butylbenzamide
CID 113049064
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
3-chloro-N-[6-(3-methylanilino)pyridazin-3-yl]benzamide
CID 113045730
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide?
The IUPAC name of N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide (CID 113049942) is N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide?
The canonical SMILES for N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3cccc(F)c3)nn2)cc1.
What is the InChIKey of N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide?
The InChIKey is GYJYROGGYNCIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-12-5-7-13(8-6-12)18(24)21-17-10-9-16(22-23-17)20-15-4-2-3-14(19)11-15/h2-11H,1H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide?
N-[6-(3-fluoroanilino)pyridazin-3-yl]-4-methylbenzamide has a molecular weight of 322.34 g/mol, XLogP of 3.92, 4 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]-4-methylbenzamide is sourced from PubChem (CID 113049942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).