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

C19H16F2N4O — CID 109128021

IUPAC6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)22-19(26)16-10-11-17(25-24-16)23-18-14(20)4-3-5-15(18)21/h3-11H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyNVHXYHGAEUXDCU-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.31
Rot. Bonds5

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

6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 109128021) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
PubChem CID109128021
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC Name6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)22-19(26)16-10-11-17(25-24-16)23-18-14(20)4-3-5-15(18)21/h3-11H,2H2,1H3,(H,22,26)(H,23,25)
InChIKeyNVHXYHGAEUXDCU-UHFFFAOYSA-N
XLogP4.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900
methyl 2-[[6-[(4-ethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128007
ethyl 4-[[6-(4-ethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127983
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
CID 109130379

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide (CID 109128021) is 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide is CCc1ccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)cc1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is NVHXYHGAEUXDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-2-12-6-8-13(9-7-12)22-19(26)16-10-11-17(25-24-16)23-18-14(20)4-3-5-15(18)21/h3-11H,2H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide?
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.31, 5 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-(4-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).