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

C23H26F4N2O3 — CID 21109649

IUPAC6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESCCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H26F4N2O3/c1-2-3-10-32-22-17(16-12-15(23(25,26)27)8-9-18(16)24)11-14(13-28-22)21(31)29-19-6-4-5-7-20(19)30/h8-9,11-13,19-20,30H,2-7,10H2,1H3,(H,29,31)
InChIKeyGNEASUXYOFAFSW-UHFFFAOYSA-N
MW454.46 g/mol
LogP5.12
Rot. Bonds7

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

6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (PubChem CID 21109649) has the molecular formula C23H26F4N2O3 and a molecular weight of 454.46 g/mol. Its IUPAC name is 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
PubChem CID21109649
Molecular FormulaC23H26F4N2O3
Molecular Weight454.46 g/mol
Exact Mass454.19
IUPAC Name6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
SMILESCCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H26F4N2O3/c1-2-3-10-32-22-17(16-12-15(23(25,26)27)8-9-18(16)24)11-14(13-28-22)21(31)29-19-6-4-5-7-20(19)30/h8-9,11-13,19-20,30H,2-7,10H2,1H3,(H,29,31)
InChIKeyGNEASUXYOFAFSW-UHFFFAOYSA-N
XLogP5.12
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.46
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(2R)-2-hydroxycyclohexyl]pyridine-3-carboxamide
CID 69383374
5-(2,4-dichlorophenyl)-N-(2-hydroxycyclohexyl)-6-pentoxypyridine-3-carboxamide
CID 21109591
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383
5-(4-chlorophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67971298
6-(5-amino-5-oxopentoxy)-5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 21109644
5-(3,4-dichlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 146505274
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[3-(2-oxopyrrolidin-1-yl)propoxy]pyridine-3-carboxamide
CID 67505011
5-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;5-(3,4-dichlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 162017411
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505140
5-(4-chlorophenyl)-N-[(2R)-2-hydroxycyclohexyl]-6-[(2S)-2-methoxypropoxy]pyridine-3-carboxamide
CID 67505139
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The IUPAC name of 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide (CID 21109649) is 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is CCCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
The InChIKey is GNEASUXYOFAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4N2O3/c1-2-3-10-32-22-17(16-12-15(23(25,26)27)8-9-18(16)24)11-14(13-28-22)21(31)29-19-6-4-5-7-20(19)30/h8-9,11-13,19-20,30H,2-7,10H2,1H3,(H,29,31).
What are the key properties of 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide?
6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide has a molecular weight of 454.46 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-5-[2-fluoro-5-(trifluoromethyl)phenyl]-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide is sourced from PubChem (CID 21109649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).