1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide

C28H26F2N6O5 — CID 178100896

About 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide

1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide (PubChem CID 178100896) has the molecular formula C28H26F2N6O5 and a molecular weight of 564.55 g/mol. Its IUPAC name is 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide
• PubChem CID: 178100896
• Molecular Formula: C28H26F2N6O5
• Molecular Weight: 564.55 g/mol
• Exact Mass: 564.19
• IUPAC Name: 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide
• SMILES: CN(C(=O)C1=C(C=O)N(Cc2nc(-c3cccc(-c4cccnc4C(F)F)c3)no2)CCC1)C1CCC(=O)NC1=O
• InChI: InChI=1S/C28H26F2N6O5/c1-35(20-9-10-22(38)32-27(20)39)28(40)19-8-4-12-36(21(19)15-37)14-23-33-26(34-41-23)17-6-2-5-16(13-17)18-7-3-11-31-24(18)25(29)30/h2-3,5-7,11,13,15,20,25H,4,8-10,12,14H2,1H3,(H,32,38,39)
• InChIKey: GHKNJUHLUNOPCW-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 138.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.55
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide?

The IUPAC name of 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide (CID 178100896) is 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide.

What is the SMILES notation for 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide?

The canonical SMILES for 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide is CN(C(=O)C1=C(C=O)N(Cc2nc(-c3cccc(-c4cccnc4C(F)F)c3)no2)CCC1)C1CCC(=O)NC1=O.

What is the InChIKey of 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide?

The InChIKey is GHKNJUHLUNOPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N6O5/c1-35(20-9-10-22(38)32-27(20)39)28(40)19-8-4-12-36(21(19)15-37)14-23-33-26(34-41-23)17-6-2-5-16(13-17)18-7-3-11-31-24(18)25(29)30/h2-3,5-7,11,13,15,20,25H,4,8-10,12,14H2,1H3,(H,32,38,39).

What are the key properties of 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide?

1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 564.55 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-[2-(difluoromethyl)-3-pyridinyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-3,4-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 178100896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).