1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone

C13H17BrN2O — CID 116607382

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cn2)CCCC1N
InChIInChI=1S/C13H17BrN2O/c1-13(6-2-3-11(13)15)12(17)7-10-5-4-9(14)8-16-10/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyUPTSQNORCOJMSG-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone (PubChem CID 116607382) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
PubChem CID116607382
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cn2)CCCC1N
InChIInChI=1S/C13H17BrN2O/c1-13(6-2-3-11(13)15)12(17)7-10-5-4-9(14)8-16-10/h4-5,8,11H,2-3,6-7,15H2,1H3
InChIKeyUPTSQNORCOJMSG-UHFFFAOYSA-N
XLogP2.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116607236
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
CID 104798866
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763604
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
1-(2-amino-1-methylcyclopentyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 116607264
(2-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824672
1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
2-(5-bromo-2-pyridinyl)-1-(thiolan-2-yl)ethanone
CID 104799279

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone (CID 116607382) is 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone is CC1(C(=O)Cc2ccc(Br)cn2)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone?
The InChIKey is UPTSQNORCOJMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-13(6-2-3-11(13)15)12(17)7-10-5-4-9(14)8-16-10/h4-5,8,11H,2-3,6-7,15H2,1H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone has a molecular weight of 297.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone is sourced from PubChem (CID 116607382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).