5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C13H17F3N2O — CID 156504794

IUPAC5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)CNC1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2O/c1-7(2)6-17-9-3-4-10-12(9)8(13(14,15)16)5-11(19)18-10/h5,7,9,17H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyYIMPYUQPQXJAJJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.63
Rot. Bonds3

About 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 156504794) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID156504794
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCC(C)CNC1CCc2[nH]c(=O)cc(C(F)(F)F)c21
InChIInChI=1S/C13H17F3N2O/c1-7(2)6-17-9-3-4-10-12(9)8(13(14,15)16)5-11(19)18-10/h5,7,9,17H,3-4,6H2,1-2H3,(H,18,19)
InChIKeyYIMPYUQPQXJAJJ-UHFFFAOYSA-N
XLogP2.63
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 156504794) is 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is CC(C)CNC1CCc2[nH]c(=O)cc(C(F)(F)F)c21.
What is the InChIKey of 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is YIMPYUQPQXJAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-7(2)6-17-9-3-4-10-12(9)8(13(14,15)16)5-11(19)18-10/h5,7,9,17H,3-4,6H2,1-2H3,(H,18,19).
What are the key properties of 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 274.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 156504794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).