(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone

C14H19N3O2 — CID 77083011

IUPAC(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N)n1)C2
InChIInChI=1S/C14H19N3O2/c1-19-13-9-5-6-10(13)8-17(7-9)14(18)11-3-2-4-12(15)16-11/h2-4,9-10,13H,5-8H2,1H3,(H2,15,16)/t9-,10+,13?
InChIKeyBSCMVJBLOHIKCQ-HWYHXSKPSA-N
MW261.32 g/mol
LogP1.16
Rot. Bonds2

About (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone

(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 77083011) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID77083011
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOC1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N)n1)C2
InChIInChI=1S/C14H19N3O2/c1-19-13-9-5-6-10(13)8-17(7-9)14(18)11-3-2-4-12(15)16-11/h2-4,9-10,13H,5-8H2,1H3,(H2,15,16)/t9-,10+,13?
InChIKeyBSCMVJBLOHIKCQ-HWYHXSKPSA-N
XLogP1.16
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone (CID 77083011) is (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone is COC1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N)n1)C2.
What is the InChIKey of (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is BSCMVJBLOHIKCQ-HWYHXSKPSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13-9-5-6-10(13)8-17(7-9)14(18)11-3-2-4-12(15)16-11/h2-4,9-10,13H,5-8H2,1H3,(H2,15,16)/t9-,10+,13?.
What are the key properties of (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone?
(6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[(1S,5R)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 77083011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).