N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C16H17F3N2O2 — CID 128651009

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc2c(n1)CCC2)C1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)14-11-6-5-10(23-11)13(14)15(22)21-12-7-4-8-2-1-3-9(8)20-12/h4,7,10-11,13-14H,1-3,5-6H2,(H,20,21,22)
InChIKeyILAKFPSKKQALSE-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.86
Rot. Bonds2

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 128651009) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID128651009
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc2c(n1)CCC2)C1C2CCC(O2)C1C(F)(F)F
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)14-11-6-5-10(23-11)13(14)15(22)21-12-7-4-8-2-1-3-9(8)20-12/h4,7,10-11,13-14H,1-3,5-6H2,(H,20,21,22)
InChIKeyILAKFPSKKQALSE-UHFFFAOYSA-N
XLogP2.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 128651009) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc2c(n1)CCC2)C1C2CCC(O2)C1C(F)(F)F.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ILAKFPSKKQALSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)14-11-6-5-10(23-11)13(14)15(22)21-12-7-4-8-2-1-3-9(8)20-12/h4,7,10-11,13-14H,1-3,5-6H2,(H,20,21,22).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 128651009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).