6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

C19H15F3N4O — CID 109122201

IUPAC6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C19H15F3N4O/c20-13-6-4-12(5-7-13)10-11-23-19(27)16-8-9-17(26-25-16)24-18-14(21)2-1-3-15(18)22/h1-9H,10-11H2,(H,23,27)(H,24,26)
InChIKeyAUDRLNGSVXNWDX-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.61
Rot. Bonds6

About 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide

6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 109122201) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
PubChem CID109122201
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C19H15F3N4O/c20-13-6-4-12(5-7-13)10-11-23-19(27)16-8-9-17(26-25-16)24-18-14(21)2-1-3-15(18)22/h1-9H,10-11H2,(H,23,27)(H,24,26)
InChIKeyAUDRLNGSVXNWDX-UHFFFAOYSA-N
XLogP3.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
6-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 62186107
6-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109119413
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371999
6-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122145
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109122203
6-(cyclopropylamino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109109833
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide (CID 109122201) is 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is AUDRLNGSVXNWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-13-6-4-12(5-7-13)10-11-23-19(27)16-8-9-17(26-25-16)24-18-14(21)2-1-3-15(18)22/h1-9H,10-11H2,(H,23,27)(H,24,26).
What are the key properties of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide?
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109122201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).