N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide

C20H21F3N2O2S — CID 11988512

IUPACN-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N2O2S/c21-20(22,23)27-16-9-5-10-17(12-16)28-13-15-8-4-11-18(24-15)19(26)25-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,26)
InChIKeyIMFIJOCSOFQIGE-UHFFFAOYSA-N
MW410.46 g/mol
LogP5.34
Rot. Bonds6

About N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide

N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide (PubChem CID 11988512) has the molecular formula C20H21F3N2O2S and a molecular weight of 410.46 g/mol. Its IUPAC name is N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide
PubChem CID11988512
Molecular FormulaC20H21F3N2O2S
Molecular Weight410.46 g/mol
Exact Mass410.13
IUPAC NameN-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C20H21F3N2O2S/c21-20(22,23)27-16-9-5-10-17(12-16)28-13-15-8-4-11-18(24-15)19(26)25-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,26)
InChIKeyIMFIJOCSOFQIGE-UHFFFAOYSA-N
XLogP5.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide (CID 11988512) is N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide is O=C(NC1CCCCC1)c1cccc(CSc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide?
The InChIKey is IMFIJOCSOFQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2S/c21-20(22,23)27-16-9-5-10-17(12-16)28-13-15-8-4-11-18(24-15)19(26)25-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,26).
What are the key properties of N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide?
N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[3-(trifluoromethoxy)phenyl]sulfanylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 11988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).