6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

C14H14F2N4O — CID 109109787

IUPAC6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)17-14(21)11-6-7-12(20-19-11)18-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,17,21)(H,18,20)
InChIKeyIGWBQFYVQYASDR-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.64
Rot. Bonds4

About 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide

6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109109787) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109109787
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2c(F)cccc2F)nn1
InChIInChI=1S/C14H14F2N4O/c1-8(2)17-14(21)11-6-7-12(20-19-11)18-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,17,21)(H,18,20)
InChIKeyIGWBQFYVQYASDR-UHFFFAOYSA-N
XLogP2.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
5-(2,6-difluoroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271349
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127733
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-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109109787) is 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(Nc2c(F)cccc2F)nn1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is IGWBQFYVQYASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-8(2)17-14(21)11-6-7-12(20-19-11)18-13-9(15)4-3-5-10(13)16/h3-8H,1-2H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide?
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.64, 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-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).