5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide

C22H20F3N3O4 — CID 134024450

IUPAC5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H20F3N3O4/c1-2-10-28(13-18(29)26-16-8-7-15(23)20(24)21(16)25)22(31)17-9-6-14(32-17)12-27-11-4-3-5-19(27)30/h3-9,11H,2,10,12-13H2,1H3,(H,26,29)
InChIKeyDSVMPXUMAONOLZ-UHFFFAOYSA-N
MW447.41 g/mol
LogP3.40
Rot. Bonds8

About 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide

5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide (PubChem CID 134024450) has the molecular formula C22H20F3N3O4 and a molecular weight of 447.41 g/mol. Its IUPAC name is 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide
PubChem CID134024450
Molecular FormulaC22H20F3N3O4
Molecular Weight447.41 g/mol
Exact Mass447.14
IUPAC Name5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C22H20F3N3O4/c1-2-10-28(13-18(29)26-16-8-7-15(23)20(24)21(16)25)22(31)17-9-6-14(32-17)12-27-11-4-3-5-19(27)30/h3-9,11H,2,10,12-13H2,1H3,(H,26,29)
InChIKeyDSVMPXUMAONOLZ-UHFFFAOYSA-N
XLogP3.40
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-5-[(2-oxo-1-pyridinyl)methyl]-N-propylfuran-2-carboxamide
CID 110887129
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 27773162
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
N-[(2,4-difluorophenyl)methyl]-N-methyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38230002
2-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 51143517
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42033517
5-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-N-propylpyrazole-3-carboxamide
CID 55755016
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide?
The IUPAC name of 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide (CID 134024450) is 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide?
The canonical SMILES for 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide?
The InChIKey is DSVMPXUMAONOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O4/c1-2-10-28(13-18(29)26-16-8-7-15(23)20(24)21(16)25)22(31)17-9-6-14(32-17)12-27-11-4-3-5-19(27)30/h3-9,11H,2,10,12-13H2,1H3,(H,26,29).
What are the key properties of 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide?
5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide has a molecular weight of 447.41 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1-pyridinyl)methyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylfuran-2-carboxamide is sourced from PubChem (CID 134024450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).