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

C29H27F5N6O2 — CID 155729957

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

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide (PubChem CID 155729957) has the molecular formula C29H27F5N6O2 and a molecular weight of 586.57 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide.

Molecular Properties

• Compound Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide
• PubChem CID: 155729957
• Molecular Formula: C29H27F5N6O2
• Molecular Weight: 586.57 g/mol
• Exact Mass: 586.21
• IUPAC Name: N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide
• SMILES: CN1CCC(N(C)c2cc(-c3ccc(F)cc3F)c(F)cc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1
• InChI: InChI=1S/C29H27F5N6O2/c1-38-9-7-20(8-10-38)39(2)25-12-22(21-6-4-18(30)11-23(21)31)24(32)13-26(25)40(16-41)15-19-5-3-17(14-35-19)28-36-37-29(42-28)27(33)34/h3-6,11-14,16,20,27H,7-10,15H2,1-2H3
• InChIKey: UBJBSZDSTZGVEF-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 78.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.57
LogP ≤ 5	5.85
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-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide?

The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide (CID 155729957) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-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-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide?

The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide is CN1CCC(N(C)c2cc(-c3ccc(F)cc3F)c(F)cc2N(C=O)Cc2ccc(-c3nnc(C(F)F)o3)cn2)CC1.

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

The InChIKey is UBJBSZDSTZGVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5N6O2/c1-38-9-7-20(8-10-38)39(2)25-12-22(21-6-4-18(30)11-23(21)31)24(32)13-26(25)40(16-41)15-19-5-3-17(14-35-19)28-36-37-29(42-28)27(33)34/h3-6,11-14,16,20,27H,7-10,15H2,1-2H3.

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

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide has a molecular weight of 586.57 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 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-[4-(2,4-difluorophenyl)-5-fluoro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]formamide is sourced from PubChem (CID 155729957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).