6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H17F3N2O2 — CID 58639401

IUPAC6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1cccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)c1
InChIInChI=1S/C21H17F3N2O2/c1-2-28-18-5-3-4-14(12-18)19-11-6-15(13-25-19)20(27)26-17-9-7-16(8-10-17)21(22,23)24/h3-13H,2H2,1H3,(H,26,27)
InChIKeyOHJALIFJJSHYNE-UHFFFAOYSA-N
MW386.37 g/mol
LogP5.42
Rot. Bonds5

About 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 58639401) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID58639401
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCCOc1cccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)c1
InChIInChI=1S/C21H17F3N2O2/c1-2-28-18-5-3-4-14(12-18)19-11-6-15(13-25-19)20(27)26-17-9-7-16(8-10-17)21(22,23)24/h3-13H,2H2,1H3,(H,26,27)
InChIKeyOHJALIFJJSHYNE-UHFFFAOYSA-N
XLogP5.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 58639401) is 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CCOc1cccc(-c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is OHJALIFJJSHYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c1-2-28-18-5-3-4-14(12-18)19-11-6-15(13-25-19)20(27)26-17-9-7-16(8-10-17)21(22,23)24/h3-13H,2H2,1H3,(H,26,27).
What are the key properties of 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 386.37 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).