5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide

C21H15F3N2O3 — CID 36660463

IUPAC5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)16-7-3-5-15(13-16)6-4-11-25-20(28)18-10-9-17(29-18)14-26-12-2-1-8-19(26)27/h1-3,5,7-10,12-13H,11,14H2,(H,25,28)
InChIKeyPOBAMCXWUGZWOY-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.29
Rot. Bonds4

About 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide

5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide (PubChem CID 36660463) has the molecular formula C21H15F3N2O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
PubChem CID36660463
Molecular FormulaC21H15F3N2O3
Molecular Weight400.36 g/mol
Exact Mass400.10
IUPAC Name5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
SMILESO=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C21H15F3N2O3/c22-21(23,24)16-7-3-5-15(13-16)6-4-11-25-20(28)18-10-9-17(29-18)14-26-12-2-1-8-19(26)27/h1-3,5,7-10,12-13H,11,14H2,(H,25,28)
InChIKeyPOBAMCXWUGZWOY-UHFFFAOYSA-N
XLogP3.29
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide
CID 90550607
N-(2-methylpropyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 47141529
N-[(2R)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597946
N-[(2S)-3-methylbutan-2-yl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 30597949
N-[(3-methoxyphenyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024409
N-[2-(2-methylpropanoylamino)ethyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 31344363
5-[(2-oxo-1-pyridinyl)methyl]-N-prop-2-enylfuran-2-carboxamide
CID 47141528
N-(4-tert-butylphenyl)-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 134024272
4-cyano-2-methyl-5-pyrrol-1-yl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-3-carboxamide
CID 31871947
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
2-phenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide
CID 31825072
N-[(1-hydroxycycloheptyl)methyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 111433258

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide (CID 36660463) is 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide is O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide?
The InChIKey is POBAMCXWUGZWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O3/c22-21(23,24)16-7-3-5-15(13-16)6-4-11-25-20(28)18-10-9-17(29-18)14-26-12-2-1-8-19(26)27/h1-3,5,7-10,12-13H,11,14H2,(H,25,28).
What are the key properties of 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide?
5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1-pyridinyl)methyl]-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-2-carboxamide is sourced from PubChem (CID 36660463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).