2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

C24H23F4N3O4 — CID 78426330

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)c[nH]c1=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/h5-8,10-12,34H,4,9H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyOVQKIFZIESIWQQ-UHFFFAOYSA-N
MW493.46 g/mol
LogP4.40
Rot. Bonds7

About 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 78426330) has the molecular formula C24H23F4N3O4 and a molecular weight of 493.46 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID78426330
Molecular FormulaC24H23F4N3O4
Molecular Weight493.46 g/mol
Exact Mass493.16
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1cc(-c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)c[nH]c1=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/h5-8,10-12,34H,4,9H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyOVQKIFZIESIWQQ-UHFFFAOYSA-N
XLogP4.40
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.46
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54719986
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729992
N-[2-(ethyloxy)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481523
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-{3-[(1-methylethyl)oxy]propyl}-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69482069
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1,5-naphthyridine-3-carboxamide
CID 69482162
US9840501, Example 53
CID 118484370
US9840501, Example 33
CID 118485041
US9789100, Example 1
CID 139208320
7-[[2-[bis(2-hydroxyethyl)carbamoyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679079
7-[[2-[2-(dimethylamino)-2-oxoethyl]-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679091
7-[(2-acetyl-4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679136
7-[[4-fluoro-2-[3-(methylamino)-3-oxopropyl]phenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54679144

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 78426330) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is CCOc1cc(-c2ccc(CC(=O)Nc3cnc(C(C)(C)O)c(C(F)(F)F)c3)c(F)c2)c[nH]c1=O.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is OVQKIFZIESIWQQ-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/h5-8,10-12,34H,4,9H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-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 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 78426330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).