N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C15H17F3N2O2 — CID 167842973

IUPACN-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2C3CCC(O3)C2C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-7-5-8(2)19-11(6-7)20-14(21)12-9-3-4-10(22-9)13(12)15(16,17)18/h5-6,9-10,12-13H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyYPYLHHFGMBFBSC-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.99
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167842973) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167842973
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2C3CCC(O3)C2C(F)(F)F)c1
InChIInChI=1S/C15H17F3N2O2/c1-7-5-8(2)19-11(6-7)20-14(21)12-9-3-4-10(22-9)13(12)15(16,17)18/h5-6,9-10,12-13H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyYPYLHHFGMBFBSC-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 167842973) is N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc(C)nc(NC(=O)C2C3CCC(O3)C2C(F)(F)F)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YPYLHHFGMBFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-7-5-8(2)19-11(6-7)20-14(21)12-9-3-4-10(22-9)13(12)15(16,17)18/h5-6,9-10,12-13H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167842973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).