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

C15H13F3N2O3 — CID 71548055

IUPAC3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1=O
InChIInChI=1S/C15H13F3N2O3/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)15(16,17)18/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyWDZDKFWFPQRREK-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.04
Rot. Bonds3

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

3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 71548055) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID71548055
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1=O
InChIInChI=1S/C15H13F3N2O3/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)15(16,17)18/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyWDZDKFWFPQRREK-UHFFFAOYSA-N
XLogP2.04
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-methyl-2-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 90342550
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 90342641
2-hydroxy-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 31694167
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 110730365
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
6-[3-fluoro-5-(trifluoromethyl)phenyl]-3-hydroxy-1-methyl-N-[(4-methylphenyl)methyl]-2-oxopyridine-4-carboxamide
CID 90347490
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
2-methyl-2-(2-oxoazetidin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 1495534
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
5-chloro-2-fluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25403062
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 106686763

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide (CID 71548055) is 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)c(O)c1=O.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is WDZDKFWFPQRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-20-7-6-11(12(21)14(20)23)13(22)19-8-9-2-4-10(5-3-9)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-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 71548055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).