2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

C24H23F4N3O4 — CID 139208320

IUPAC2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOC1C=C(c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)C=NC1=O
InChIInChI=1S/C24H23F4N3O4/c1-4-35-19-8-15(11-30-22(19)33)13-5-6-14(18(25)7-13)9-20(32)31-16-10-17(24(26,27)28)21(29-12-16)23(2,3)34/h5-8,10-12,19,34H,4,9H2,1-3H3,(H,31,32)
InChIKeyISJKEAZUGHQANT-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.05
Rot. Bonds7

About 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 139208320) has the molecular formula C24H23F4N3O4 and a molecular weight of 493.46 g/mol. Its IUPAC name is 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID139208320
Molecular FormulaC24H23F4N3O4
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC Name2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOC1C=C(c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)C=NC1=O
InChIInChI=1S/C24H23F4N3O4/c1-4-35-19-8-15(11-30-22(19)33)13-5-6-14(18(25)7-13)9-20(32)31-16-10-17(24(26,27)28)21(29-12-16)23(2,3)34/h5-8,10-12,19,34H,4,9H2,1-3H3,(H,31,32)
InChIKeyISJKEAZUGHQANT-UHFFFAOYSA-N
XLogP4.05
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US9840501, Example 55
CID 118484365
US9840501, Example 53
CID 118484370
(RS)-4-Fluoro-N-(6-morpholin-2-yl-3-pyridyl)benzamide
CID 118484428
US9840501, Example 35
CID 118484436
US9840501, Example 33
CID 118485041
US9789100, Example 2
CID 139208321
US9789100, Example 12
CID 139208331
US9789100, Example 14
CID 139208333
2-hydroxy-N-methyl-N-[(3-methylpyridin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56721565
N-[4-(hydroxymethyl)-3-pyridinyl]-2-methoxy-2-phenylacetamide
CID 75500830
N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-3-pyridin-2-ylphenyl)-2-ethoxyacetamide
CID 21905176
2-[4-(5-amino-2-pyridinyl)-2,6-difluorophenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxyacetamide
CID 21905256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 139208320) is 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is CCOC1C=C(c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)C=NC1=O.
What is the InChIKey of 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is ISJKEAZUGHQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O4/c1-4-35-19-8-15(11-30-22(19)33)13-5-6-14(18(25)7-13)9-20(32)31-16-10-17(24(26,27)28)21(29-12-16)23(2,3)34/h5-8,10-12,19,34H,4,9H2,1-3H3,(H,31,32).
What are the key properties of 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 493.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxy-2-oxo-3H-pyridin-5-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 139208320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).