2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

C14H19N3O2 — CID 107339559

IUPAC2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESNc1ccc(CC(=O)N2CC3CCC(O)C3C2)nc1
InChIInChI=1S/C14H19N3O2/c15-10-2-3-11(16-6-10)5-14(19)17-7-9-1-4-13(18)12(9)8-17/h2-3,6,9,12-13,18H,1,4-5,7-8,15H2
InChIKeyJZUGDLSQHBUXHK-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.44
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (PubChem CID 107339559) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
PubChem CID107339559
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
SMILESNc1ccc(CC(=O)N2CC3CCC(O)C3C2)nc1
InChIInChI=1S/C14H19N3O2/c15-10-2-3-11(16-6-10)5-14(19)17-7-9-1-4-13(18)12(9)8-17/h2-3,6,9,12-13,18H,1,4-5,7-8,15H2
InChIKeyJZUGDLSQHBUXHK-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107338538
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 107338725
2-(5-amino-2-pyridinyl)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 107339308
2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 107338846
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
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
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone (CID 107339559) is 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is Nc1ccc(CC(=O)N2CC3CCC(O)C3C2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
The InChIKey is JZUGDLSQHBUXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-10-2-3-11(16-6-10)5-14(19)17-7-9-1-4-13(18)12(9)8-17/h2-3,6,9,12-13,18H,1,4-5,7-8,15H2.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.44, 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-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone is sourced from PubChem (CID 107339559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).