6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C21H27F3N4O2 — CID 67456271

IUPAC6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(-c2cccc(C(=O)NCC(F)(F)F)n2)cn1CC1CCOCC1
InChIInChI=1S/C21H27F3N4O2/c1-20(2,3)19-27-17(12-28(19)11-14-7-9-30-10-8-14)15-5-4-6-16(26-15)18(29)25-13-21(22,23)24/h4-6,12,14H,7-11,13H2,1-3H3,(H,25,29)
InChIKeyFUQHNWCXOLODFZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.96
Rot. Bonds5

About 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 67456271) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID67456271
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC Name6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCC(C)(C)c1nc(-c2cccc(C(=O)NCC(F)(F)F)n2)cn1CC1CCOCC1
InChIInChI=1S/C21H27F3N4O2/c1-20(2,3)19-27-17(12-28(19)11-14-7-9-30-10-8-14)15-5-4-6-16(26-15)18(29)25-13-21(22,23)24/h4-6,12,14H,7-11,13H2,1-3H3,(H,25,29)
InChIKeyFUQHNWCXOLODFZ-UHFFFAOYSA-N
XLogP3.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 67456271) is 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is CC(C)(C)c1nc(-c2cccc(C(=O)NCC(F)(F)F)n2)cn1CC1CCOCC1.
What is the InChIKey of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is FUQHNWCXOLODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-20(2,3)19-27-17(12-28(19)11-14-7-9-30-10-8-14)15-5-4-6-16(26-15)18(29)25-13-21(22,23)24/h4-6,12,14H,7-11,13H2,1-3H3,(H,25,29).
What are the key properties of 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 67456271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).