N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide

C20H21F3N2O2 — CID 58211214

IUPACN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,25,26)
InChIKeyRNUNKYOMCYDAEX-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.74
Rot. Bonds5

About N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide

N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 58211214) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
PubChem CID58211214
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,25,26)
InChIKeyRNUNKYOMCYDAEX-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide (CID 58211214) is N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide is O=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is RNUNKYOMCYDAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-6,9-12,15H,1-3,7-8,13H2,(H,25,26).
What are the key properties of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide?
N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 58211214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).