3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C17H17FN6O2 — CID 169417127

About 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide

3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 169417127) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• PubChem CID: 169417127
• Molecular Formula: C17H17FN6O2
• Molecular Weight: 356.36 g/mol
• Exact Mass: 356.14
• IUPAC Name: 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• SMILES: Cc1nnc(CNC(=O)c2cc(F)cc(-c3ccc(N(C)C)nn3)c2)o1
• InChI: InChI=1S/C17H17FN6O2/c1-10-20-23-16(26-10)9-19-17(25)12-6-11(7-13(18)8-12)14-4-5-15(22-21-14)24(2)3/h4-8H,9H2,1-3H3,(H,19,25)
• InChIKey: TUBKLAPTZJPNCA-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.36
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The IUPAC name of 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 169417127) is 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

What is the SMILES notation for 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The canonical SMILES for 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1nnc(CNC(=O)c2cc(F)cc(-c3ccc(N(C)C)nn3)c2)o1.

What is the InChIKey of 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The InChIKey is TUBKLAPTZJPNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-10-20-23-16(26-10)9-19-17(25)12-6-11(7-13(18)8-12)14-4-5-15(22-21-14)24(2)3/h4-8H,9H2,1-3H3,(H,19,25).

What are the key properties of 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 356.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(dimethylamino)pyridazin-3-yl]-5-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 169417127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).