N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide

C17H9F5N4O — CID 109130401

IUPACN-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C17H9F5N4O/c18-9-2-1-8(7-11(9)20)23-17(27)13-5-6-14(26-25-13)24-12-4-3-10(19)15(21)16(12)22/h1-7H,(H,23,27)(H,24,26)
InChIKeySTBSNGUCKFJFMG-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.17
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (PubChem CID 109130401) has the molecular formula C17H9F5N4O and a molecular weight of 380.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
PubChem CID109130401
Molecular FormulaC17H9F5N4O
Molecular Weight380.28 g/mol
Exact Mass380.07
IUPAC NameN-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C17H9F5N4O/c18-9-2-1-8(7-11(9)20)23-17(27)13-5-6-14(26-25-13)24-12-4-3-10(19)15(21)16(12)22/h1-7H,(H,23,27)(H,24,26)
InChIKeySTBSNGUCKFJFMG-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127862
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (CID 109130401) is N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(Nc2ccc(F)c(F)c2F)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The InChIKey is STBSNGUCKFJFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5N4O/c18-9-2-1-8(7-11(9)20)23-17(27)13-5-6-14(26-25-13)24-12-4-3-10(19)15(21)16(12)22/h1-7H,(H,23,27)(H,24,26).
What are the key properties of N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide has a molecular weight of 380.28 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).