N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C20H14F4N2O2 — CID 12849353

IUPACN-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c1-26(15-9-7-14(21)8-10-15)19(27)17-6-3-11-25-18(17)28-16-5-2-4-13(12-16)20(22,23)24/h2-12H,1H3
InChIKeyDDTAOLZCXWHFEC-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.31
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 12849353) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID12849353
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14F4N2O2/c1-26(15-9-7-14(21)8-10-15)19(27)17-6-3-11-25-18(17)28-16-5-2-4-13(12-16)20(22,23)24/h2-12H,1H3
InChIKeyDDTAOLZCXWHFEC-UHFFFAOYSA-N
XLogP5.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(4-fluorophenyl)-N-methylpyridine-3-carboxamide
CID 12849372
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide
CID 88747853
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
N-methyl-N-phenyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide
CID 88748536
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 44759446
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12894406
(2S)-3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 95211503
(2S)-2-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]butanamide
CID 95227912
3-amino-2-methyl-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]propanamide
CID 56752710
N-(4-hydroxyphenyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 60744120

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 12849353) is N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is CN(C(=O)c1cccnc1Oc1cccc(C(F)(F)F)c1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is DDTAOLZCXWHFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c1-26(15-9-7-14(21)8-10-15)19(27)17-6-3-11-25-18(17)28-16-5-2-4-13(12-16)20(22,23)24/h2-12H,1H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 12849353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).