6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

C20H17F3N2O4 — CID 86970868

IUPAC6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4/c1-28-11-16(12-4-2-5-13(10-12)20(21,22)23)25-19(27)14-7-8-15(24-18(14)26)17-6-3-9-29-17/h2-10,16H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyLABGOFPGGIKQTB-UHFFFAOYSA-N
MW406.36 g/mol
LogP3.77
Rot. Bonds6

About 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide

6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 86970868) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID86970868
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCC(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4/c1-28-11-16(12-4-2-5-13(10-12)20(21,22)23)25-19(27)14-7-8-15(24-18(14)26)17-6-3-9-29-17/h2-10,16H,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyLABGOFPGGIKQTB-UHFFFAOYSA-N
XLogP3.77
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391
6-(furan-2-yl)-N-[(2S,3R)-1-hydroxy-3-phenylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97255840
6-(furan-2-yl)-N-[4-(furan-2-yl)butan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 56821017
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
6-(furan-2-yl)-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 138041587
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111455621
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 120535956
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
CID 86971896
N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]oxazinane-2-carboxamide
CID 124847956
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473
6-(furan-2-yl)-2-oxo-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-pyridine-3-carboxamide
CID 86858643

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 86970868) is 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is COCC(NC(=O)c1ccc(-c2ccco2)[nH]c1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LABGOFPGGIKQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-28-11-16(12-4-2-5-13(10-12)20(21,22)23)25-19(27)14-7-8-15(24-18(14)26)17-6-3-9-29-17/h2-10,16H,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 86970868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).