N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

C49H48ClF4N13O8 — CID 158307268

About N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide

N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (PubChem CID 158307268) has the molecular formula C49H48ClF4N13O8 and a molecular weight of 1058.45 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
• PubChem CID: 158307268
• Molecular Formula: C49H48ClF4N13O8
• Molecular Weight: 1058.45 g/mol
• Exact Mass: 1057.34
• IUPAC Name: N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide
• SMILES: CCNC(=O)Cn1nc(-c2ccc(N3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cn1
• InChI: InChI=1S/C19H17ClN4O3.C16H17F2N5O2.C14H14F2N4O3/c1-27-18-8-6-14(11-22-18)16-7-9-19(26)24(23-16)12-17(25)21-10-13-4-2-3-5-15(13)20;1-2-19-14(24)8-23-15(25)6-4-12(21-23)11-3-5-13(20-7-11)22-9-16(17,18)10-22;1-2-17-11(21)8-20-13(22)6-4-10(19-20)9-3-5-12(18-7-9)23-14(15)16/h2-9,11H,10,12H2,1H3,(H,21,25);3-7H,2,8-10H2,1H3,(H,19,24);3-7,14H,2,8H2,1H3,(H,17,21)
• InChIKey: GNFRSDSQVBLJKG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 252.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1058.45
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide (CID 158307268) is N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1nc(-c2ccc(N3CC(F)(F)C3)nc2)ccc1=O.CCNC(=O)Cn1nc(-c2ccc(OC(F)F)nc2)ccc1=O.COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccccc3Cl)n2)cn1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

The InChIKey is GNFRSDSQVBLJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3.C16H17F2N5O2.C14H14F2N4O3/c1-27-18-8-6-14(11-22-18)16-7-9-19(26)24(23-16)12-17(25)21-10-13-4-2-3-5-15(13)20;1-2-19-14(24)8-23-15(25)6-4-12(21-23)11-3-5-13(20-7-11)22-9-16(17,18)10-22;1-2-17-11(21)8-20-13(22)6-4-10(19-20)9-3-5-12(18-7-9)23-14(15)16/h2-9,11H,10,12H2,1H3,(H,21,25);3-7H,2,8-10H2,1H3,(H,19,24);3-7,14H,2,8H2,1H3,(H,17,21).

What are the key properties of N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide?

N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide has a molecular weight of 1058.45 g/mol, XLogP of 4.22, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-2-[3-(6-methoxy-3-pyridinyl)-6-oxopyridazin-1-yl]acetamide;2-[3-[6-(3,3-difluoroazetidin-1-yl)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide;2-[3-[6-(difluoromethoxy)-3-pyridinyl]-6-oxopyridazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 158307268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).