N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide

C23H24F4N6O2 — CID 155729429

About N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide

N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide (PubChem CID 155729429) has the molecular formula C23H24F4N6O2 and a molecular weight of 492.48 g/mol. Its IUPAC name is N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide.

Molecular Properties

• Compound Name: N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
• PubChem CID: 155729429
• Molecular Formula: C23H24F4N6O2
• Molecular Weight: 492.48 g/mol
• Exact Mass: 492.19
• IUPAC Name: N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
• SMILES: CN1CCC(N(C)c2cc(F)c(F)cc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1
• InChI: InChI=1S/C23H24F4N6O2/c1-31-7-5-16(6-8-31)32(2)19-9-17(24)18(25)10-20(19)33(13-34)12-15-4-3-14(11-28-15)22-29-30-23(35-22)21(26)27/h3-4,9-11,13,16,21H,5-8,12H2,1-2H3
• InChIKey: MGFYRMOZNKEXFU-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 78.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.48
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide (CID 155729429) is N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide.

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

The canonical SMILES for N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide is CN1CCC(N(C)c2cc(F)c(F)cc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1.

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

The InChIKey is MGFYRMOZNKEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6O2/c1-31-7-5-16(6-8-31)32(2)19-9-17(24)18(25)10-20(19)33(13-34)12-15-4-3-14(11-28-15)22-29-30-23(35-22)21(26)27/h3-4,9-11,13,16,21H,5-8,12H2,1-2H3.

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

N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide has a molecular weight of 492.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-difluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 155729429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).