1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone

C12H15BrN2O — CID 116587348

IUPAC1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNC1CCC(C(=O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c13-10-3-8(6-15-7-10)4-12(16)9-1-2-11(14)5-9/h3,6-7,9,11H,1-2,4-5,14H2
InChIKeyJZENNOSLTTWNLJ-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone

1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone (PubChem CID 116587348) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
PubChem CID116587348
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
SMILESNC1CCC(C(=O)Cc2cncc(Br)c2)C1
InChIInChI=1S/C12H15BrN2O/c13-10-3-8(6-15-7-10)4-12(16)9-1-2-11(14)5-9/h3,6-7,9,11H,1-2,4-5,14H2
InChIKeyJZENNOSLTTWNLJ-UHFFFAOYSA-N
XLogP2.08
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclohexyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116569032
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
CID 116587341
1-(3-aminocyclopentyl)-2-(3-bromo-4-methoxyphenyl)ethanone
CID 116587325
2-(5-bromo-3-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113454523
5-bromopyridin-3-amine;2-(5-bromo-3-pyridinyl)-1-(1-methylpiperidin-4-yl)ethanone;4-methylpiperazine-1-carboxylic acid
CID 159862381
2-(5-bromo-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 104799040
1-(1-aminocyclopropyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116576762
4-amino-1-(5-bromo-3-pyridinyl)butan-2-one
CID 116550854
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
1-(3-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 114166852
1-(5-bromo-3-pyridinyl)-3-pyridin-4-ylpropan-2-one
CID 104798805

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone (CID 116587348) is 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone is NC1CCC(C(=O)Cc2cncc(Br)c2)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone?
The InChIKey is JZENNOSLTTWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-3-8(6-15-7-10)4-12(16)9-1-2-11(14)5-9/h3,6-7,9,11H,1-2,4-5,14H2.
What are the key properties of 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone?
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone has a molecular weight of 283.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone is sourced from PubChem (CID 116587348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).