2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C14H19N3O2 — CID 107338846

IUPAC2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESNc1ccc(CC(=O)N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C14H19N3O2/c15-9-1-2-10(16-8-9)5-14(19)17-11-3-4-12(17)7-13(18)6-11/h1-2,8,11-13,18H,3-7,15H2
InChIKeyNYIWBLDIXLESEW-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.72
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 107338846) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID107338846
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESNc1ccc(CC(=O)N2C3CCC2CC(O)C3)nc1
InChIInChI=1S/C14H19N3O2/c15-9-1-2-10(16-8-9)5-14(19)17-11-3-4-12(17)7-13(18)6-11/h1-2,8,11-13,18H,3-7,15H2
InChIKeyNYIWBLDIXLESEW-UHFFFAOYSA-N
XLogP0.72
TPSA79.45 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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 107339559
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
2-(5-amino-2-pyridinyl)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 107337839
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120645633
(4-aminophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone;hydrochloride
CID 119706378
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107338538

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 107338846) is 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is Nc1ccc(CC(=O)N2C3CCC2CC(O)C3)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is NYIWBLDIXLESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-9-1-2-10(16-8-9)5-14(19)17-11-3-4-12(17)7-13(18)6-11/h1-2,8,11-13,18H,3-7,15H2.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 107338846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).