1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C20H15F3N2O3 — CID 1478496

IUPAC1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)17-7-4-12-25(19(17)27)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26)
InChIKeyBBFRAUXXEOPTED-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.05
Rot. Bonds5

About 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 1478496) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID1478496
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)17-7-4-12-25(19(17)27)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26)
InChIKeyBBFRAUXXEOPTED-UHFFFAOYSA-N
XLogP4.05
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 1478496) is 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is BBFRAUXXEOPTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-20(22,23)28-16-10-8-15(9-11-16)24-18(26)17-7-4-12-25(19(17)27)13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,26).
What are the key properties of 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1478496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).