(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone

C16H20F3N3O2 — CID 126835009

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone
SMILESCc1cc(C(=O)N2C3CCC2CC(O)C3)cc(NCC(F)(F)F)n1
InChIInChI=1S/C16H20F3N3O2/c1-9-4-10(5-14(21-9)20-8-16(17,18)19)15(24)22-11-2-3-12(22)7-13(23)6-11/h4-5,11-13,23H,2-3,6-8H2,1H3,(H,20,21)
InChIKeyRGXZOGDPZDGZRA-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.49
Rot. Bonds3

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone (PubChem CID 126835009) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone
PubChem CID126835009
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone
SMILESCc1cc(C(=O)N2C3CCC2CC(O)C3)cc(NCC(F)(F)F)n1
InChIInChI=1S/C16H20F3N3O2/c1-9-4-10(5-14(21-9)20-8-16(17,18)19)15(24)22-11-2-3-12(22)7-13(23)6-11/h4-5,11-13,23H,2-3,6-8H2,1H3,(H,20,21)
InChIKeyRGXZOGDPZDGZRA-UHFFFAOYSA-N
XLogP2.49
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone (CID 126835009) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone is Cc1cc(C(=O)N2C3CCC2CC(O)C3)cc(NCC(F)(F)F)n1.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone?
The InChIKey is RGXZOGDPZDGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-9-4-10(5-14(21-9)20-8-16(17,18)19)15(24)22-11-2-3-12(22)7-13(23)6-11/h4-5,11-13,23H,2-3,6-8H2,1H3,(H,20,21).
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone has a molecular weight of 343.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-methyl-6-(2,2,2-trifluoroethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 126835009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).