6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

C20H19FN4O — CID 109128181

IUPAC6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O/c1-13(2)14-7-3-5-9-16(14)23-20(26)18-11-12-19(25-24-18)22-17-10-6-4-8-15(17)21/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyYEVHTHCQJQVOLP-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.74
Rot. Bonds5

About 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide

6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (PubChem CID 109128181) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
PubChem CID109128181
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2F)nn1
InChIInChI=1S/C20H19FN4O/c1-13(2)14-7-3-5-9-16(14)23-20(26)18-11-12-19(25-24-18)22-17-10-6-4-8-15(17)21/h3-13H,1-2H3,(H,22,25)(H,23,26)
InChIKeyYEVHTHCQJQVOLP-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109119228
6-hydrazinyl-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 62236502
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192
methyl 4-[[6-[(2-propan-2-ylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128195
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
N-(4-bromophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128353
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
6-(2,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129616
N-[6-(2-fluoroanilino)pyridazin-3-yl]acetamide
CID 113047134
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide (CID 109128181) is 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is CC(C)c1ccccc1NC(=O)c1ccc(Nc2ccccc2F)nn1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
The InChIKey is YEVHTHCQJQVOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-13(2)14-7-3-5-9-16(14)23-20(26)18-11-12-19(25-24-18)22-17-10-6-4-8-15(17)21/h3-13H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide?
6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).