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

C23H22ClF4N3O4 — CID 90422510

IUPAC2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride
SMILESCCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F.Cl
InChIInChI=1S/C23H21F4N3O4.ClH/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);1H
InChIKeyVBEYQIVTFAQGGT-UHFFFAOYSA-N
MW515.89 g/mol
LogP5.00
Rot. Bonds8

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

2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride (PubChem CID 90422510) has the molecular formula C23H22ClF4N3O4 and a molecular weight of 515.89 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;hydrochloride.

Molecular Properties

Compound Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride
PubChem CID90422510
Molecular FormulaC23H22ClF4N3O4
Molecular Weight515.89 g/mol
Exact Mass515.12
IUPAC Name2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride
SMILESCCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F.Cl
InChIInChI=1S/C23H21F4N3O4.ClH/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);1H
InChIKeyVBEYQIVTFAQGGT-UHFFFAOYSA-N
XLogP5.00
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.89
LogP ≤ 55.00
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;hydrochloride?
The IUPAC name of 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride (CID 90422510) is 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride is CCOc1ncc(NC(=O)Cc2ccc(-c3c[nH]c(=O)c(OCC)c3)cc2F)cc1C(F)(F)F.Cl.
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;hydrochloride?
The InChIKey is VBEYQIVTFAQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O4.ClH/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);1H.
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;hydrochloride?
2-[4-(5-ethoxy-6-oxo-1H-pyridin-3-yl)-2-fluorophenyl]-N-[6-ethoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;hydrochloride has a molecular weight of 515.89 g/mol, XLogP of 5.00, 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;hydrochloride is sourced from PubChem (CID 90422510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).