6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide

C17H12F2N4O — CID 109126736

IUPAC6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C17H12F2N4O/c18-12-7-4-8-13(19)16(12)21-15-10-9-14(22-23-15)17(24)20-11-5-2-1-3-6-11/h1-10H,(H,20,24)(H,21,23)
InChIKeyNZQDUNPKJLUINX-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.75
Rot. Bonds4

About 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide

6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide (PubChem CID 109126736) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
PubChem CID109126736
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C17H12F2N4O/c18-12-7-4-8-13(19)16(12)21-15-10-9-14(22-23-15)17(24)20-11-5-2-1-3-6-11/h1-10H,(H,20,24)(H,21,23)
InChIKeyNZQDUNPKJLUINX-UHFFFAOYSA-N
XLogP3.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127733
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide (CID 109126736) is 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide?
The InChIKey is NZQDUNPKJLUINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-12-7-4-8-13(19)16(12)21-15-10-9-14(22-23-15)17(24)20-11-5-2-1-3-6-11/h1-10H,(H,20,24)(H,21,23).
What are the key properties of 6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide?
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 3.75, 4 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-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109126736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).