(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane

C12H17N3 — CID 67116915

IUPAC(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1cccc(N2C[C@@H]3CCNC[C@@H]32)n1
InChIInChI=1S/C12H17N3/c1-9-3-2-4-12(14-9)15-8-10-5-6-13-7-11(10)15/h2-4,10-11,13H,5-8H2,1H3/t10-,11-/m0/s1
InChIKeyUYKLNZDJUSJTPA-QWRGUYRKSA-N
MW203.29 g/mol
LogP1.19
Rot. Bonds1

About (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane

(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane (PubChem CID 67116915) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane.

Molecular Properties

Compound Name(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
PubChem CID67116915
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
SMILESCc1cccc(N2C[C@@H]3CCNC[C@@H]32)n1
InChIInChI=1S/C12H17N3/c1-9-3-2-4-12(14-9)15-8-10-5-6-13-7-11(10)15/h2-4,10-11,13H,5-8H2,1H3/t10-,11-/m0/s1
InChIKeyUYKLNZDJUSJTPA-QWRGUYRKSA-N
XLogP1.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aS)-1-(6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 61142838
(1R,6S)-8-(5-methylpyrazin-2-yl)-3,8-diazabicyclo[4.2.0]octane
CID 67116692
8-(4-methylphenyl)-3,8-diazabicyclo[4.2.0]octane
CID 70266351
tert-butyl (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 67116757
2-methyl-6-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 94406823
(1S,6S)-7-(6-methyl-3-pyridinyl)-3,7-diazabicyclo[4.2.0]octane
CID 66757627
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43594569
(3aR)-1-(6-propan-2-yl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 170682158
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
(3aS,6aS)-1-(6-methoxy-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 63589001
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The IUPAC name of (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane (CID 67116915) is (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane.
What is the SMILES notation for (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The canonical SMILES for (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane is Cc1cccc(N2C[C@@H]3CCNC[C@@H]32)n1.
What is the InChIKey of (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
The InChIKey is UYKLNZDJUSJTPA-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H17N3/c1-9-3-2-4-12(14-9)15-8-10-5-6-13-7-11(10)15/h2-4,10-11,13H,5-8H2,1H3/t10-,11-/m0/s1.
What are the key properties of (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane?
(1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane has a molecular weight of 203.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-8-(6-methyl-2-pyridinyl)-3,8-diazabicyclo[4.2.0]octane is sourced from PubChem (CID 67116915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).