N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C21H16F4N2O3 — CID 71542158

IUPACN-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1-c1ccc(F)cc1)c1ccn(CC(F)(F)F)c(=O)c1O
InChIInChI=1S/C21H16F4N2O3/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-26-19(29)17-9-10-27(12-21(23,24)25)20(30)18(17)28/h1-10,28H,11-12H2,(H,26,29)
InChIKeyGLMWTHDKDHKJTD-UHFFFAOYSA-N
MW420.36 g/mol
LogP3.85
Rot. Bonds5

About N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 71542158) has the molecular formula C21H16F4N2O3 and a molecular weight of 420.36 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID71542158
Molecular FormulaC21H16F4N2O3
Molecular Weight420.36 g/mol
Exact Mass420.11
IUPAC NameN-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1-c1ccc(F)cc1)c1ccn(CC(F)(F)F)c(=O)c1O
InChIInChI=1S/C21H16F4N2O3/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-26-19(29)17-9-10-27(12-21(23,24)25)20(30)18(17)28/h1-10,28H,11-12H2,(H,26,29)
InChIKeyGLMWTHDKDHKJTD-UHFFFAOYSA-N
XLogP3.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 71542158) is N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(NCc1ccccc1-c1ccc(F)cc1)c1ccn(CC(F)(F)F)c(=O)c1O.
What is the InChIKey of N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is GLMWTHDKDHKJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O3/c22-15-7-5-13(6-8-15)16-4-2-1-3-14(16)11-26-19(29)17-9-10-27(12-21(23,24)25)20(30)18(17)28/h1-10,28H,11-12H2,(H,26,29).
What are the key properties of N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 420.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)phenyl]methyl]-3-hydroxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 71542158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).