4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C12H19F3N2O — CID 113340216

IUPAC4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h4H,5-8H2,1-3H3,(H,16,18)
InChIKeyFBTMOUZOHVJKMX-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.94
Rot. Bonds1

About 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 113340216) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID113340216
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)(C)C1=CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h4H,5-8H2,1-3H3,(H,16,18)
InChIKeyFBTMOUZOHVJKMX-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 113340216) is 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC(C)(C)C1=CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is FBTMOUZOHVJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(2,3)9-4-6-17(7-5-9)10(18)16-8-12(13,14)15/h4H,5-8H2,1-3H3,(H,16,18).
What are the key properties of 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 113340216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).