[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride

C13H19Cl2N3O2 — CID 154907415

IUPAC[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NC1[C@@H]2CC[C@H]1CN(C(=O)c1cncc(O)c1)C2
InChIInChI=1S/C13H17N3O2.2ClH/c14-12-8-1-2-9(12)7-16(6-8)13(18)10-3-11(17)5-15-4-10;;/h3-5,8-9,12,17H,1-2,6-7,14H2;2*1H/t8-,9+,12?;;
InChIKeyRABNLOGGCXIORY-LCTAIVHPSA-N
MW320.22 g/mol
LogP1.44
Rot. Bonds1

About [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride

[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride (PubChem CID 154907415) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride
PubChem CID154907415
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NC1[C@@H]2CC[C@H]1CN(C(=O)c1cncc(O)c1)C2
InChIInChI=1S/C13H17N3O2.2ClH/c14-12-8-1-2-9(12)7-16(6-8)13(18)10-3-11(17)5-15-4-10;;/h3-5,8-9,12,17H,1-2,6-7,14H2;2*1H/t8-,9+,12?;;
InChIKeyRABNLOGGCXIORY-LCTAIVHPSA-N
XLogP1.44
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride with MolForge

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Related Compounds

methyl 3-[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octane-3-carbonyl]-5-hydroxybenzoate;hydrochloride
CID 154910922
1-(5-hydroxypyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 63850646
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(5-hydroxy-3-pyridinyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63851017
3,6-dihydro-2H-pyridin-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115976365
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride (CID 154907415) is [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride is Cl.Cl.NC1[C@@H]2CC[C@H]1CN(C(=O)c1cncc(O)c1)C2.
What is the InChIKey of [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride?
The InChIKey is RABNLOGGCXIORY-LCTAIVHPSA-N. The full InChI is InChI=1S/C13H17N3O2.2ClH/c14-12-8-1-2-9(12)7-16(6-8)13(18)10-3-11(17)5-15-4-10;;/h3-5,8-9,12,17H,1-2,6-7,14H2;2*1H/t8-,9+,12?;;.
What are the key properties of [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride?
[(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride has a molecular weight of 320.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-(5-hydroxy-3-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 154907415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).