4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide

C32H23F4N7O2 — CID 132518930

About 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide

4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide (PubChem CID 132518930) has the molecular formula C32H23F4N7O2 and a molecular weight of 613.58 g/mol. Its IUPAC name is 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

• Compound Name: 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
• PubChem CID: 132518930
• Molecular Formula: C32H23F4N7O2
• Molecular Weight: 613.58 g/mol
• Exact Mass: 613.18
• IUPAC Name: 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide
• SMILES: [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCOc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(F)c1F
• InChI: InChI=1S/C32H23F4N7O2/c33-27-26(28(34)30(36)31(29(27)35)42-43-37)32(44)40-15-5-6-16-45-21-11-9-19(10-12-21)20-17-24(22-7-1-3-13-38-22)41-25(18-20)23-8-2-4-14-39-23/h1-4,7-14,17-18H,5-6,15-16H2,(H,40,44)
• InChIKey: NJHGUJCDZRDGGE-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 125.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.58
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide?

The IUPAC name of 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide (CID 132518930) is 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide.

What is the SMILES notation for 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide?

The canonical SMILES for 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide is [N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCCCOc2ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc2)c(F)c1F.

What is the InChIKey of 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide?

The InChIKey is NJHGUJCDZRDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F4N7O2/c33-27-26(28(34)30(36)31(29(27)35)42-43-37)32(44)40-15-5-6-16-45-21-11-9-19(10-12-21)20-17-24(22-7-1-3-13-38-22)41-25(18-20)23-8-2-4-14-39-23/h1-4,7-14,17-18H,5-6,15-16H2,(H,40,44).

What are the key properties of 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide?

4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide has a molecular weight of 613.58 g/mol, XLogP of 7.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-azido-N-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenoxy]butyl]-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 132518930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).