ZXPDNIWNKGMSOZ-UHFFFAOYSA-N

C₂₀H₁₅F₄N₃O₃ — CID 152730865

About ZXPDNIWNKGMSOZ-UHFFFAOYSA-N

ZXPDNIWNKGMSOZ-UHFFFAOYSA-N (PubChem CID 152730865) has the molecular formula C₂₀H₁₅F₄N₃O₃ and a molecular weight of 421.35 g/mol. Its IUPAC name is 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: ZXPDNIWNKGMSOZ-UHFFFAOYSA-N
• PubChem CID: 152730865
• Molecular Formula: C₂₀H₁₅F₄N₃O₃
• Molecular Weight: 421.35 g/mol
• Exact Mass: 421.10
• IUPAC Name: 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide
• SMILES: Cc1cc(C(=O)Nc2ccc(Oc3ccccc3OC(F)(F)F)cc2)c(N)nc1F
• InChI: InChI=1S/C20H15F4N3O3/c1-11-10-14(18(25)27-17(11)21)19(28)26-12-6-8-13(9-7-12)29-15-4-2-3-5-16(15)30-20(22,23)24/h2-10H,1H3,(H2,25,27)(H,26,28)
• InChIKey: ZXPDNIWNKGMSOZ-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.35
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ZXPDNIWNKGMSOZ-UHFFFAOYSA-N?

The IUPAC name of ZXPDNIWNKGMSOZ-UHFFFAOYSA-N (CID 152730865) is 2-amino-6-fluoro-5-methyl-N-[4-[2-(trifluoromethoxy)phenoxy]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for ZXPDNIWNKGMSOZ-UHFFFAOYSA-N?

The canonical SMILES for ZXPDNIWNKGMSOZ-UHFFFAOYSA-N is Cc1cc(C(=O)Nc2ccc(Oc3ccccc3OC(F)(F)F)cc2)c(N)nc1F.

What is the InChIKey of ZXPDNIWNKGMSOZ-UHFFFAOYSA-N?

The InChIKey is ZXPDNIWNKGMSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c1-11-10-14(18(25)27-17(11)21)19(28)26-12-6-8-13(9-7-12)29-15-4-2-3-5-16(15)30-20(22,23)24/h2-10H,1H3,(H2,25,27)(H,26,28).

What are the key properties of ZXPDNIWNKGMSOZ-UHFFFAOYSA-N?

ZXPDNIWNKGMSOZ-UHFFFAOYSA-N has a molecular weight of 421.35 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ZXPDNIWNKGMSOZ-UHFFFAOYSA-N is sourced from PubChem (CID 152730865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152730865 — identifiers, structure, computed properties (public domain)

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