(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone

C14H19N3O2 — CID 63767918

IUPAC(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19N3O2/c1-15-13-4-2-3-12(16-13)14(19)17-9-5-6-10(17)8-11(18)7-9/h2-4,9-11,18H,5-8H2,1H3,(H,15,16)
InChIKeyXYNUIARIDCLBCP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.25
Rot. Bonds2

About (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone (PubChem CID 63767918) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone
PubChem CID63767918
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone
SMILESCNc1cccc(C(=O)N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H19N3O2/c1-15-13-4-2-3-12(16-13)14(19)17-9-5-6-10(17)8-11(18)7-9/h2-4,9-11,18H,5-8H2,1H3,(H,15,16)
InChIKeyXYNUIARIDCLBCP-UHFFFAOYSA-N
XLogP1.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.25
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)-[6-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone (CID 63767918) is (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone is CNc1cccc(C(=O)N2C3CCC2CC(O)C3)n1.
What is the InChIKey of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone?
The InChIKey is XYNUIARIDCLBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-13-4-2-3-12(16-13)14(19)17-9-5-6-10(17)8-11(18)7-9/h2-4,9-11,18H,5-8H2,1H3,(H,15,16).
What are the key properties of (3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone?
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[6-(methylamino)-2-pyridinyl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.25, 2 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)-[6-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 63767918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).