N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide

C28H26F3N7O3 — CID 155729857

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide (PubChem CID 155729857) has the molecular formula C28H26F3N7O3 and a molecular weight of 565.56 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide
• PubChem CID: 155729857
• Molecular Formula: C28H26F3N7O3
• Molecular Weight: 565.56 g/mol
• Exact Mass: 565.20
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide
• SMILES: CN(c1ccc(F)cc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CCN(C(=O)c2ccncc2)CC1
• InChI: InChI=1S/C28H26F3N7O3/c1-36(22-8-12-37(13-9-22)28(40)18-6-10-32-11-7-18)23-5-3-20(29)14-24(23)38(17-39)16-21-4-2-19(15-33-21)26-34-35-27(41-26)25(30)31/h2-7,10-11,14-15,17,22,25H,8-9,12-13,16H2,1H3
• InChIKey: SYAVGPALKWBENO-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 108.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.56
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide (CID 155729857) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide.

What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide is CN(c1ccc(F)cc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CCN(C(=O)c2ccncc2)CC1.

What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide?

The InChIKey is SYAVGPALKWBENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O3/c1-36(22-8-12-37(13-9-22)28(40)18-6-10-32-11-7-18)23-5-3-20(29)14-24(23)38(17-39)16-21-4-2-19(15-33-21)26-34-35-27(41-26)25(30)31/h2-7,10-11,14-15,17,22,25H,8-9,12-13,16H2,1H3.

What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide?

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide has a molecular weight of 565.56 g/mol, XLogP of 4.51, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[5-fluoro-2-[methyl-[1-(pyridine-4-carbonyl)piperidin-4-yl]amino]phenyl]formamide is sourced from PubChem (CID 155729857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).