N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

C25H16F6N2O2 — CID 91310683

IUPACN-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESO=Cc1cnccc1NC(=O)C=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H16F6N2O2/c26-24(27,28)19-8-4-16(5-9-19)21(17-6-10-20(11-7-17)25(29,30)31)2-1-3-23(35)33-22-12-13-32-14-18(22)15-34/h1-15H,(H,32,33,35)
InChIKeySUYVTENLVJNZPV-UHFFFAOYSA-N
MW490.40 g/mol
LogP6.56
Rot. Bonds6

About N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide

N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (PubChem CID 91310683) has the molecular formula C25H16F6N2O2 and a molecular weight of 490.40 g/mol. Its IUPAC name is N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.

Molecular Properties

Compound NameN-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
PubChem CID91310683
Molecular FormulaC25H16F6N2O2
Molecular Weight490.40 g/mol
Exact Mass490.11
IUPAC NameN-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide
SMILESO=Cc1cnccc1NC(=O)C=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H16F6N2O2/c26-24(27,28)19-8-4-16(5-9-19)21(17-6-10-20(11-7-17)25(29,30)31)2-1-3-23(35)33-22-12-13-32-14-18(22)15-34/h1-15H,(H,32,33,35)
InChIKeySUYVTENLVJNZPV-UHFFFAOYSA-N
XLogP6.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The IUPAC name of N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide (CID 91310683) is N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide.
What is the SMILES notation for N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The canonical SMILES for N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is O=Cc1cnccc1NC(=O)C=CC=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
The InChIKey is SUYVTENLVJNZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6N2O2/c26-24(27,28)19-8-4-16(5-9-19)21(17-6-10-20(11-7-17)25(29,30)31)2-1-3-23(35)33-22-12-13-32-14-18(22)15-34/h1-15H,(H,32,33,35).
What are the key properties of N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide?
N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide has a molecular weight of 490.40 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formyl-4-pyridinyl)-5,5-bis[4-(trifluoromethyl)phenyl]penta-2,4-dienamide is sourced from PubChem (CID 91310683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).