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

C25H25F4N3O4 — CID 78427025

IUPAC2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cnc(C(C)(C)CO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H25F4N3O4/c1-4-36-20-10-21(34)30-12-17(20)14-5-6-15(19(26)7-14)8-22(35)32-16-9-18(25(27,28)29)23(31-11-16)24(2,3)13-33/h5-7,9-12,33H,4,8,13H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyXEPCZNYKJKQIAG-UHFFFAOYSA-N
MW507.48 g/mol
LogP4.44
Rot. Bonds8

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

2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 78427025) has the molecular formula C25H25F4N3O4 and a molecular weight of 507.48 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID78427025
Molecular FormulaC25H25F4N3O4
Molecular Weight507.48 g/mol
Exact Mass507.18
IUPAC Name2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cnc(C(C)(C)CO)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H25F4N3O4/c1-4-36-20-10-21(34)30-12-17(20)14-5-6-15(19(26)7-14)8-22(35)32-16-9-18(25(27,28)29)23(31-11-16)24(2,3)13-33/h5-7,9-12,33H,4,8,13H2,1-3H3,(H,30,34)(H,32,35)
InChIKeyXEPCZNYKJKQIAG-UHFFFAOYSA-N
XLogP4.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.48
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 78427025) is 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is CCOc1cc(=O)[nH]cc1-c1ccc(CC(=O)Nc2cnc(C(C)(C)CO)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is XEPCZNYKJKQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N3O4/c1-4-36-20-10-21(34)30-12-17(20)14-5-6-15(19(26)7-14)8-22(35)32-16-9-18(25(27,28)29)23(31-11-16)24(2,3)13-33/h5-7,9-12,33H,4,8,13H2,1-3H3,(H,30,34)(H,32,35).
What are the key properties of 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 507.48 g/mol, XLogP of 4.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-(1-hydroxy-2-methylpropan-2-yl)-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 78427025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).