[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate

C14H18N2O2 — CID 46226602

IUPAC[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
SMILESCN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccnc1)C2
InChIInChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyNHFDVEVAKLYKKT-VXGBXAGGSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds2

About [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate

[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate (PubChem CID 46226602) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
PubChem CID46226602
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate
SMILESCN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccnc1)C2
InChIInChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1
InChIKeyNHFDVEVAKLYKKT-VXGBXAGGSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate?
The IUPAC name of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate (CID 46226602) is [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate.
What is the SMILES notation for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate?
The canonical SMILES for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate is CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cccnc1)C2.
What is the InChIKey of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate?
The InChIKey is NHFDVEVAKLYKKT-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-11-4-5-12(16)8-13(7-11)18-14(17)10-3-2-6-15-9-10/h2-3,6,9,11-13H,4-5,7-8H2,1H3/t11-,12-/m1/s1.
What are the key properties of [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate?
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] pyridine-3-carboxylate is sourced from PubChem (CID 46226602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).