N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

C21H16F4N2O2 — CID 170701239

IUPACN-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C21H16F4N2O2/c1-2-26-20(28)17-10-11-18(19(27-17)13-4-3-5-15(22)12-13)29-16-8-6-14(7-9-16)21(23,24)25/h3-12H,2H2,1H3,(H,26,28)
InChIKeyHKHBJRKFCCMELH-UHFFFAOYSA-N
MW404.36 g/mol
LogP5.45
Rot. Bonds5

About N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide

N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (PubChem CID 170701239) has the molecular formula C21H16F4N2O2 and a molecular weight of 404.36 g/mol. Its IUPAC name is N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
PubChem CID170701239
Molecular FormulaC21H16F4N2O2
Molecular Weight404.36 g/mol
Exact Mass404.11
IUPAC NameN-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)n1
InChIInChI=1S/C21H16F4N2O2/c1-2-26-20(28)17-10-11-18(19(27-17)13-4-3-5-15(22)12-13)29-16-8-6-14(7-9-16)21(23,24)25/h3-12H,2H2,1H3,(H,26,28)
InChIKeyHKHBJRKFCCMELH-UHFFFAOYSA-N
XLogP5.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.36
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
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2-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
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5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
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CID 10340527

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide (CID 170701239) is N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is CCNC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2cccc(F)c2)n1.
What is the InChIKey of N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
The InChIKey is HKHBJRKFCCMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O2/c1-2-26-20(28)17-10-11-18(19(27-17)13-4-3-5-15(22)12-13)29-16-8-6-14(7-9-16)21(23,24)25/h3-12H,2H2,1H3,(H,26,28).
What are the key properties of N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide?
N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide has a molecular weight of 404.36 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluorophenyl)-5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 170701239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).