(2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide

C25H15F9N2O — CID 87598611

About (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide

(2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide (PubChem CID 87598611) has the molecular formula C25H15F9N2O and a molecular weight of 530.39 g/mol. Its IUPAC name is (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide
• PubChem CID: 87598611
• Molecular Formula: C25H15F9N2O
• Molecular Weight: 530.39 g/mol
• Exact Mass: 530.10
• IUPAC Name: (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide
• SMILES: O=C(/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C25H15F9N2O/c26-23(27,28)17-8-4-15(5-9-17)20(16-6-10-18(11-7-16)24(29,30)31)2-1-3-22(37)36-21-13-12-19(14-35-21)25(32,33)34/h1-14H,(H,35,36,37)/b3-1+
• InChIKey: QQXMHEAIYZFPLA-HNQUOIGGSA-N
• XLogP: 7.76
• TPSA: 41.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.39
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide?

The IUPAC name of (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide (CID 87598611) is (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide.

What is the SMILES notation for (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide?

The canonical SMILES for (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide is O=C(/C=C/C=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)Nc1ccc(C(F)(F)F)cn1.

What is the InChIKey of (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide?

The InChIKey is QQXMHEAIYZFPLA-HNQUOIGGSA-N. The full InChI is InChI=1S/C25H15F9N2O/c26-23(27,28)17-8-4-15(5-9-17)20(16-6-10-18(11-7-16)24(29,30)31)2-1-3-22(37)36-21-13-12-19(14-35-21)25(32,33)34/h1-14H,(H,35,36,37)/b3-1+.

What are the key properties of (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide?

(2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide has a molecular weight of 530.39 g/mol, XLogP of 7.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-5,5-bis[4-(trifluoromethyl)phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]penta-2,4-dienamide is sourced from PubChem (CID 87598611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).