3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide

C16H16F2N4O2 — CID 113039818

IUPAC3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O2/c17-12-4-3-10(8-13(12)18)16(23)20-15-6-5-14(21-22-15)19-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,19,21)(H,20,22,23)
InChIKeyXHCRSVDRQJQNGO-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.60
Rot. Bonds5

About 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide

3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide (PubChem CID 113039818) has the molecular formula C16H16F2N4O2 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
PubChem CID113039818
Molecular FormulaC16H16F2N4O2
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(NCC2CCCO2)nn1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O2/c17-12-4-3-10(8-13(12)18)16(23)20-15-6-5-14(21-22-15)19-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,19,21)(H,20,22,23)
InChIKeyXHCRSVDRQJQNGO-UHFFFAOYSA-N
XLogP2.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
N-(2,5-dichlorophenyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153607
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109111164
6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-(4-chlorophenyl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343802
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide (CID 113039818) is 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(NCC2CCCO2)nn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide?
The InChIKey is XHCRSVDRQJQNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O2/c17-12-4-3-10(8-13(12)18)16(23)20-15-6-5-14(21-22-15)19-9-11-2-1-7-24-11/h3-6,8,11H,1-2,7,9H2,(H,19,21)(H,20,22,23).
What are the key properties of 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide?
3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide has a molecular weight of 334.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).