2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C26H19F3N2O2 — CID 155464357

IUPAC2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)22-16-15-21(24(32)30-22)25(33)31-23(19-9-5-2-6-10-19)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-16,23H,(H,30,32)(H,31,33)
InChIKeyPLBITEFNBBXPNN-UHFFFAOYSA-N
MW448.44 g/mol
LogP5.58
Rot. Bonds5

About 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464357) has the molecular formula C26H19F3N2O2 and a molecular weight of 448.44 g/mol. Its IUPAC name is 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464357
Molecular FormulaC26H19F3N2O2
Molecular Weight448.44 g/mol
Exact Mass448.14
IUPAC Name2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C26H19F3N2O2/c27-26(28,29)22-16-15-21(24(32)30-22)25(33)31-23(19-9-5-2-6-10-19)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-16,23H,(H,30,32)(H,31,33)
InChIKeyPLBITEFNBBXPNN-UHFFFAOYSA-N
XLogP5.58
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.44
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464357) is 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NC(c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PLBITEFNBBXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2/c27-26(28,29)22-16-15-21(24(32)30-22)25(33)31-23(19-9-5-2-6-10-19)20-13-11-18(12-14-20)17-7-3-1-4-8-17/h1-16,23H,(H,30,32)(H,31,33).
What are the key properties of 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 448.44 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[phenyl-(4-phenylphenyl)methyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).