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

C25H26F4N4O4 — CID 139208329

IUPACN-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1=CC(=O)N=CC1c1ccc(CC(=O)Nc2cnc(OCCN(C)C)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H26F4N4O4/c1-4-36-21-12-22(34)30-14-18(21)15-5-6-16(20(26)9-15)10-23(35)32-17-11-19(25(27,28)29)24(31-13-17)37-8-7-33(2)3/h5-6,9,11-14,18H,4,7-8,10H2,1-3H3,(H,32,35)
InChIKeyZREUDEJDWNWGIL-UHFFFAOYSA-N
MW522.50 g/mol
LogP3.98
Rot. Bonds10

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

N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide (PubChem CID 139208329) has the molecular formula C25H26F4N4O4 and a molecular weight of 522.50 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide
PubChem CID139208329
Molecular FormulaC25H26F4N4O4
Molecular Weight522.50 g/mol
Exact Mass522.19
IUPAC NameN-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide
SMILESCCOC1=CC(=O)N=CC1c1ccc(CC(=O)Nc2cnc(OCCN(C)C)c(C(F)(F)F)c2)c(F)c1
InChIInChI=1S/C25H26F4N4O4/c1-4-36-21-12-22(34)30-14-18(21)15-5-6-16(20(26)9-15)10-23(35)32-17-11-19(25(27,28)29)24(31-13-17)37-8-7-33(2)3/h5-6,9,11-14,18H,4,7-8,10H2,1-3H3,(H,32,35)
InChIKeyZREUDEJDWNWGIL-UHFFFAOYSA-N
XLogP3.98
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide?
The IUPAC name of N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide (CID 139208329) is N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide?
The canonical SMILES for N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide is CCOC1=CC(=O)N=CC1c1ccc(CC(=O)Nc2cnc(OCCN(C)C)c(C(F)(F)F)c2)c(F)c1.
What is the InChIKey of N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide?
The InChIKey is ZREUDEJDWNWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O4/c1-4-36-21-12-22(34)30-14-18(21)15-5-6-16(20(26)9-15)10-23(35)32-17-11-19(25(27,28)29)24(31-13-17)37-8-7-33(2)3/h5-6,9,11-14,18H,4,7-8,10H2,1-3H3,(H,32,35).
What are the key properties of N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide?
N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide has a molecular weight of 522.50 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethoxy]-5-(trifluoromethyl)-3-pyridinyl]-2-[4-(4-ethoxy-6-oxo-3H-pyridin-3-yl)-2-fluorophenyl]acetamide is sourced from PubChem (CID 139208329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).