1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O3 — CID 3841999

IUPAC1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)8-20-12(15(16,17)18)7-6-11(13(19)21)14(20)22/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyLRORSPLOCKUHMS-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.02
Rot. Bonds4

About 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 3841999) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID3841999
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1
InChIInChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)8-20-12(15(16,17)18)7-6-11(13(19)21)14(20)22/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyLRORSPLOCKUHMS-UHFFFAOYSA-N
XLogP2.02
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-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 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 3841999) is 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LRORSPLOCKUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-23-10-4-2-9(3-5-10)8-20-12(15(16,17)18)7-6-11(13(19)21)14(20)22/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?
1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3841999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).