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

C17H11F3N4O — CID 109128560

IUPAC6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)21-17(25)15-7-8-16(24-23-15)22-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,25)(H,22,24)
InChIKeyHRVRQJGSZFQWNB-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

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

6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (PubChem CID 109128560) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
PubChem CID109128560
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)nn1
InChIInChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)21-17(25)15-7-8-16(24-23-15)22-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,25)(H,22,24)
InChIKeyHRVRQJGSZFQWNB-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

5-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198992
N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358027
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122195
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
N-(4-bromophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128469
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide (CID 109128560) is 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(Nc2ccc(F)cc2F)nn1.
What is the InChIKey of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
The InChIKey is HRVRQJGSZFQWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-10-1-4-12(5-2-10)21-17(25)15-7-8-16(24-23-15)22-14-6-3-11(19)9-13(14)20/h1-9H,(H,21,25)(H,22,24).
What are the key properties of 6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide?
6-(2,4-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-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).