1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone

C14H19N3O2 — CID 107338538

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
SMILESNc1ccc(CC(=O)N2CCOC3CCCC32)nc1
InChIInChI=1S/C14H19N3O2/c15-10-4-5-11(16-9-10)8-14(18)17-6-7-19-13-3-1-2-12(13)17/h4-5,9,12-13H,1-3,6-8,15H2
InChIKeyHUQKDQGACHEDNM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.99
Rot. Bonds2

About 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone (PubChem CID 107338538) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
PubChem CID107338538
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
SMILESNc1ccc(CC(=O)N2CCOC3CCCC32)nc1
InChIInChI=1S/C14H19N3O2/c15-10-4-5-11(16-9-10)8-14(18)17-6-7-19-13-3-1-2-12(13)17/h4-5,9,12-13H,1-3,6-8,15H2
InChIKeyHUQKDQGACHEDNM-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone with MolForge

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Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-aminophenyl)ethanone;hydrochloride
CID 119733972
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
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-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
2-(5-amino-2-pyridinyl)-1-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 107338725
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 94643466
1-[2-(5-amino-2-pyridinyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622960
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone (CID 107338538) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone is Nc1ccc(CC(=O)N2CCOC3CCCC32)nc1.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone?
The InChIKey is HUQKDQGACHEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-10-4-5-11(16-9-10)8-14(18)17-6-7-19-13-3-1-2-12(13)17/h4-5,9,12-13H,1-3,6-8,15H2.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone is sourced from PubChem (CID 107338538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).