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

C15H13F3N2O4 — CID 90342641

IUPAC3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(O)c1=O
InChIInChI=1S/C15H13F3N2O4/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)24-15(16,17)18/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyBCQDBSTXKHACEU-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.92
Rot. Bonds4

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

3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 90342641) has the molecular formula C15H13F3N2O4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
PubChem CID90342641
Molecular FormulaC15H13F3N2O4
Molecular Weight342.27 g/mol
Exact Mass342.08
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(O)c1=O
InChIInChI=1S/C15H13F3N2O4/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)24-15(16,17)18/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyBCQDBSTXKHACEU-UHFFFAOYSA-N
XLogP1.92
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-4-((4-methoxybenzyl)amino)-3-methyl-4-oxobut-2-enoic acid
CID 2146276
(E)-N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847221
N-[(4-methoxyphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2078189
1-[(4-Methoxyphenyl)methyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 3841999
3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid 4-methoxy-benzyl ester
CID 54685358
N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 90285883
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 71515496
4-hydroxy-1-methyl-N-[[4-(oxan-4-yloxy)phenyl]methyl]-5-oxo-2H-pyrrole-3-carboxamide
CID 71548654
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 90330515
4-hydroxy-1-methyl-5-oxo-N-[(4-phenoxyphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330599
3-hydroxy-N-[(4-methoxyphenyl)methyl]-4-oxo-4H-pyran-2-carboxamide
CID 54748751
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-oxo-4-[[4-(trifluoromethoxy)phenyl]methylamino]butyl]butanamide
CID 25170934

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide (CID 90342641) is 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)c(O)c1=O.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is BCQDBSTXKHACEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)24-15(16,17)18/h2-7,21H,8H2,1H3,(H,19,22).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 342.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 90342641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).