N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide

C21H14F6N2O3 — CID 27563762

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C21H14F6N2O3/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-18(30)17-7-4-8-29(19(17)31)32-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,28,30)
InChIKeyXUBBTZXLRSRNHN-UHFFFAOYSA-N
MW456.34 g/mol
LogP4.77
Rot. Bonds5

About N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide (PubChem CID 27563762) has the molecular formula C21H14F6N2O3 and a molecular weight of 456.34 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
PubChem CID27563762
Molecular FormulaC21H14F6N2O3
Molecular Weight456.34 g/mol
Exact Mass456.09
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccccc2)c1=O
InChIInChI=1S/C21H14F6N2O3/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-18(30)17-7-4-8-29(19(17)31)32-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,28,30)
InChIKeyXUBBTZXLRSRNHN-UHFFFAOYSA-N
XLogP4.77
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide (CID 27563762) is N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccn(OCc2ccccc2)c1=O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
The InChIKey is XUBBTZXLRSRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N2O3/c22-20(23,24)14-9-15(21(25,26)27)11-16(10-14)28-18(30)17-7-4-8-29(19(17)31)32-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,28,30).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide has a molecular weight of 456.34 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide is sourced from PubChem (CID 27563762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).