2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

C70H76F4N16O14 — CID 159152118

About 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (PubChem CID 159152118) has the molecular formula C70H76F4N16O14 and a molecular weight of 1441.47 g/mol. Its IUPAC name is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 159152118
• Molecular Formula: C70H76F4N16O14
• Molecular Weight: 1441.47 g/mol
• Exact Mass: 1440.57
• IUPAC Name: 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide
• SMILES: CCC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(Oc3ccc(F)cc3)nc2)ccc1=O
• InChI: InChI=1S/C19H17FN4O3.C17H20F2N4O3.C17H19FN4O4.C17H20N4O4/c1-2-21-17(25)12-24-19(26)10-8-16(23-24)13-3-9-18(22-11-13)27-15-6-4-14(20)5-7-15;1-4-17(2,3)21-13(24)10-23-15(25)8-6-12(22-23)11-5-7-14(20-9-11)26-16(18)19;1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17;1-2-18-15(22)8-21-17(23)6-4-14(20-21)13-3-5-16(19-7-13)25-11-12-9-24-10-12/h3-11H,2,12H2,1H3,(H,21,25);5-9,16H,4,10H2,1-3H3,(H,21,24);3-7H,2,8-11H2,1H3,(H,19,23);3-7,12H,2,8-11H2,1H3,(H,18,22)
• InChIKey: KJKUGZVWLVQZLM-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 362.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1441.47
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide (CID 159152118) is 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is CCC(C)(C)NC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3(F)COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OCC3COC3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(Oc3ccc(F)cc3)nc2)ccc1=O.

What is the InChIKey of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

The InChIKey is KJKUGZVWLVQZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3.C17H20F2N4O3.C17H19FN4O4.C17H20N4O4/c1-2-21-17(25)12-24-19(26)10-8-16(23-24)13-3-9-18(22-11-13)27-15-6-4-14(20)5-7-15;1-4-17(2,3)21-13(24)10-23-15(25)8-6-12(22-23)11-5-7-14(20-9-11)26-16(18)19;1-2-19-14(23)8-22-16(24)6-4-13(21-22)12-3-5-15(20-7-12)26-11-17(18)9-25-10-17;1-2-18-15(22)8-21-17(23)6-4-14(20-21)13-3-5-16(19-7-13)25-11-12-9-24-10-12/h3-11H,2,12H2,1H3,(H,21,25);5-9,16H,4,10H2,1-3H3,(H,21,24);3-7H,2,8-11H2,1H3,(H,19,23);3-7,12H,2,8-11H2,1H3,(H,18,22).

What are the key properties of 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide?

2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide has a molecular weight of 1441.47 g/mol, XLogP of 5.61, 27 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide;N-ethyl-2-[3-[6-[(3-fluorooxetan-3-yl)methoxy]-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(4-fluorophenoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide;N-ethyl-2-[3-[6-(oxetan-3-ylmethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 159152118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).