6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide

C17H11F3N4O — CID 109128571

IUPAC6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-3-11(4-2-10)22-17(25)15-7-8-16(24-23-15)21-12-5-6-13(19)14(20)9-12/h1-9H,(H,21,24)(H,22,25)
InChIKeyAYKOIOQDSRSTTN-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

About 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide

6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109128571) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109128571
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-3-11(4-2-10)22-17(25)15-7-8-16(24-23-15)21-12-5-6-13(19)14(20)9-12/h1-9H,(H,21,24)(H,22,25)
InChIKeyAYKOIOQDSRSTTN-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (CID 109128571) is 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is AYKOIOQDSRSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-10-1-3-11(4-2-10)22-17(25)15-7-8-16(24-23-15)21-12-5-6-13(19)14(20)9-12/h1-9H,(H,21,24)(H,22,25).
What are the key properties of 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).