N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide

C20H19F3N6O2 — CID 155729646

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

N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide (PubChem CID 155729646) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide.

Molecular Properties

• Compound Name: N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
• PubChem CID: 155729646
• Molecular Formula: C20H19F3N6O2
• Molecular Weight: 432.41 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide
• SMILES: CN(c1ccc(F)cc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CNC1
• InChI: InChI=1S/C20H19F3N6O2/c1-28(15-8-24-9-15)16-5-3-13(21)6-17(16)29(11-30)10-14-4-2-12(7-25-14)19-26-27-20(31-19)18(22)23/h2-7,11,15,18,24H,8-10H2,1H3
• InChIKey: XFIWTUAQYGWWJJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.41
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
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-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide?

The IUPAC name of N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide (CID 155729646) is N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide.

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

The canonical SMILES for N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide is CN(c1ccc(F)cc1N(C=O)Cc1ccc(-c2nnc(C(F)F)o2)cn1)C1CNC1.

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

The InChIKey is XFIWTUAQYGWWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-28(15-8-24-9-15)16-5-3-13(21)6-17(16)29(11-30)10-14-4-2-12(7-25-14)19-26-27-20(31-19)18(22)23/h2-7,11,15,18,24H,8-10H2,1H3.

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

N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide has a molecular weight of 432.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[azetidin-3-yl(methyl)amino]-5-fluorophenyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]formamide is sourced from PubChem (CID 155729646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).