6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide

C26H26F4N2O2 — CID 66994195

IUPAC6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C26H26F4N2O2/c1-5-16-9-8-10-17(6-2)24(16)21-14-22(34-7-3)23(15(4)31-21)25(33)32-20-13-18(26(28,29)30)11-12-19(20)27/h8-14H,5-7H2,1-4H3,(H,32,33)
InChIKeyHXFCRXLBXRDZEX-UHFFFAOYSA-N
MW474.50 g/mol
LogP6.99
Rot. Bonds7

About 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide

6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 66994195) has the molecular formula C26H26F4N2O2 and a molecular weight of 474.50 g/mol. Its IUPAC name is 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
PubChem CID66994195
Molecular FormulaC26H26F4N2O2
Molecular Weight474.50 g/mol
Exact Mass474.19
IUPAC Name6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
SMILESCCOc1cc(-c2c(CC)cccc2CC)nc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C26H26F4N2O2/c1-5-16-9-8-10-17(6-2)24(16)21-14-22(34-7-3)23(15(4)31-21)25(33)32-20-13-18(26(28,29)30)11-12-19(20)27/h8-14H,5-7H2,1-4H3,(H,32,33)
InChIKeyHXFCRXLBXRDZEX-UHFFFAOYSA-N
XLogP6.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.50
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide (CID 66994195) is 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide is CCOc1cc(-c2c(CC)cccc2CC)nc(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is HXFCRXLBXRDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F4N2O2/c1-5-16-9-8-10-17(6-2)24(16)21-14-22(34-7-3)23(15(4)31-21)25(33)32-20-13-18(26(28,29)30)11-12-19(20)27/h8-14H,5-7H2,1-4H3,(H,32,33).
What are the key properties of 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide?
6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 474.50 g/mol, XLogP of 6.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-diethylphenyl)-4-ethoxy-N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 66994195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).