2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

C24H21F3N4O2 — CID 146576851

IUPAC2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1-c1cncc(C#N)c1)C(C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H21F3N4O2/c1-3-31(16(2)15-33-22-9-8-19(14-30-22)24(25,26)27)23(32)21-7-5-4-6-20(21)18-10-17(11-28)12-29-13-18/h4-10,12-14,16H,3,15H2,1-2H3
InChIKeyHJBYOQJVHIIMQJ-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.96
Rot. Bonds7

About 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide

2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (PubChem CID 146576851) has the molecular formula C24H21F3N4O2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
PubChem CID146576851
Molecular FormulaC24H21F3N4O2
Molecular Weight454.45 g/mol
Exact Mass454.16
IUPAC Name2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
SMILESCCN(C(=O)c1ccccc1-c1cncc(C#N)c1)C(C)COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H21F3N4O2/c1-3-31(16(2)15-33-22-9-8-19(14-30-22)24(25,26)27)23(32)21-7-5-4-6-20(21)18-10-17(11-28)12-29-13-18/h4-10,12-14,16H,3,15H2,1-2H3
InChIKeyHJBYOQJVHIIMQJ-UHFFFAOYSA-N
XLogP4.96
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The IUPAC name of 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide (CID 146576851) is 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide.
What is the SMILES notation for 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The canonical SMILES for 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is CCN(C(=O)c1ccccc1-c1cncc(C#N)c1)C(C)COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
The InChIKey is HJBYOQJVHIIMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2/c1-3-31(16(2)15-33-22-9-8-19(14-30-22)24(25,26)27)23(32)21-7-5-4-6-20(21)18-10-17(11-28)12-29-13-18/h4-10,12-14,16H,3,15H2,1-2H3.
What are the key properties of 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide?
2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide has a molecular weight of 454.45 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide is sourced from PubChem (CID 146576851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).