N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

C17H12BrFN4O — CID 109128469

IUPACN-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C17H12BrFN4O/c18-11-1-5-14(6-2-11)21-17(24)15-9-10-16(23-22-15)20-13-7-3-12(19)4-8-13/h1-10H,(H,20,23)(H,21,24)
InChIKeyQUGUTOVOGVGOFI-UHFFFAOYSA-N
MW387.21 g/mol
LogP4.37
Rot. Bonds4

About N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide

N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109128469) has the molecular formula C17H12BrFN4O and a molecular weight of 387.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109128469
Molecular FormulaC17H12BrFN4O
Molecular Weight387.21 g/mol
Exact Mass386.02
IUPAC NameN-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccc(F)cc2)nn1
InChIInChI=1S/C17H12BrFN4O/c18-11-1-5-14(6-2-11)21-17(24)15-9-10-16(23-22-15)20-13-7-3-12(19)4-8-13/h1-10H,(H,20,23)(H,21,24)
InChIKeyQUGUTOVOGVGOFI-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.21
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
N-(1,3-benzodioxol-5-yl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128499
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide (CID 109128469) is N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc(Nc2ccc(F)cc2)nn1.
What is the InChIKey of N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is QUGUTOVOGVGOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN4O/c18-11-1-5-14(6-2-11)21-17(24)15-9-10-16(23-22-15)20-13-7-3-12(19)4-8-13/h1-10H,(H,20,23)(H,21,24).
What are the key properties of N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide?
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 387.21 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109128469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).