2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C23H19F3N2O2 — CID 155464292

IUPAC2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2/c1-2-7-15-8-6-11-17(14-15)20(16-9-4-3-5-10-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h2-6,8-14,20H,1,7H2,(H,27,29)(H,28,30)
InChIKeyOVGQZBDGGNRXOH-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.64
Rot. Bonds6

About 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464292) has the molecular formula C23H19F3N2O2 and a molecular weight of 412.41 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464292
Molecular FormulaC23H19F3N2O2
Molecular Weight412.41 g/mol
Exact Mass412.14
IUPAC Name2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1
InChIInChI=1S/C23H19F3N2O2/c1-2-7-15-8-6-11-17(14-15)20(16-9-4-3-5-10-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h2-6,8-14,20H,1,7H2,(H,27,29)(H,28,30)
InChIKeyOVGQZBDGGNRXOH-UHFFFAOYSA-N
XLogP4.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464292) is 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=CCc1cccc(C(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c2ccccc2)c1.
What is the InChIKey of 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is OVGQZBDGGNRXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O2/c1-2-7-15-8-6-11-17(14-15)20(16-9-4-3-5-10-16)28-22(30)18-12-13-19(23(24,25)26)27-21(18)29/h2-6,8-14,20H,1,7H2,(H,27,29)(H,28,30).
What are the key properties of 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-(3-prop-2-enylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).