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

C23H21F4N3O4 — CID 78426331

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C23H21F4N3O4/c1-3-33-19-8-15(11-28-21(19)32)13-5-6-14(18(24)7-13)9-20(31)30-16-10-17(23(25,26)27)22(29-12-16)34-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyLALDAJOBEOZWHQ-UHFFFAOYSA-N
MW479.43 g/mol
LogP4.57
Rot. Bonds8

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

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 78426331) has the molecular formula C23H21F4N3O4 and a molecular weight of 479.43 g/mol. Its IUPAC name is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID78426331
Molecular FormulaC23H21F4N3O4
Molecular Weight479.43 g/mol
Exact Mass479.15
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C23H21F4N3O4/c1-3-33-19-8-15(11-28-21(19)32)13-5-6-14(18(24)7-13)9-20(31)30-16-10-17(23(25,26)27)22(29-12-16)34-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyLALDAJOBEOZWHQ-UHFFFAOYSA-N
XLogP4.57
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 78426331) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-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-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is CCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is LALDAJOBEOZWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O4/c1-3-33-19-8-15(11-28-21(19)32)13-5-6-14(18(24)7-13)9-20(31)30-16-10-17(23(25,26)27)22(29-12-16)34-4-2/h5-8,10-12H,3-4,9H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 479.43 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 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-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 78426331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).