6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C26H25F4N3O2 — CID 74318097

IUPAC6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35)
InChIKeyLGELOBLJCXIBFY-UHFFFAOYSA-N
MW487.50 g/mol
LogP5.12
Rot. Bonds6

About 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 74318097) has the molecular formula C26H25F4N3O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID74318097
Molecular FormulaC26H25F4N3O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC Name6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35)
InChIKeyLGELOBLJCXIBFY-UHFFFAOYSA-N
XLogP5.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.50
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903444
N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46178380
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-[(1S)-1-benzyl-2-hydroxyethyl]-4-pyridin-4-ylbenzamide
CID 68513305
N-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-3-carboxamide
CID 10049290
5-(3,5-dimethylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060383
5-(3,5-dimethylphenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060653
Quinoline-3-carboxylic acid ((1S,2S,4R)-1-cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
CID 44308819
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76902883
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide
CID 76903265
N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 89310614

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 74318097) is 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(NC1CCCCC1O)c1cnc(CCc2ccc(F)cn2)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is LGELOBLJCXIBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F4N3O2/c27-19-9-10-20(31-15-19)11-12-22-21(16-5-7-18(8-6-16)26(28,29)30)13-17(14-32-22)25(35)33-23-3-1-2-4-24(23)34/h5-10,13-15,23-24,34H,1-4,11-12H2,(H,33,35).
What are the key properties of 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-fluoro-2-pyridinyl)ethyl]-N-(2-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 74318097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).