1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone

C12H16N2O — CID 116587341

IUPAC1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
SMILESNC1CCC(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C12H16N2O/c13-11-2-1-10(8-11)12(15)7-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2
InChIKeyZQKGAYANRNDEKB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds3

About 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone

1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone (PubChem CID 116587341) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
PubChem CID116587341
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone
SMILESNC1CCC(C(=O)Cc2ccncc2)C1
InChIInChI=1S/C12H16N2O/c13-11-2-1-10(8-11)12(15)7-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2
InChIKeyZQKGAYANRNDEKB-UHFFFAOYSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395
1-(3-aminocyclopentyl)-2-(5-bromo-3-pyridinyl)ethanone
CID 116587348
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylethanone
CID 171945188
1-[4-[(1R)-1-aminoethyl]cyclohexyl]-2-pyridin-4-ylethanone
CID 58040940
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
2-pyridin-4-yl-1-(9-thiabicyclo[3.3.1]nonan-3-yl)ethanone
CID 171945203
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390
1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 116587183
N-(3-aminocyclobutyl)-2-pyridin-4-ylacetamide
CID 43594929
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone (CID 116587341) is 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone is NC1CCC(C(=O)Cc2ccncc2)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone?
The InChIKey is ZQKGAYANRNDEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-2-1-10(8-11)12(15)7-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8,13H2.
What are the key properties of 1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone?
1-(3-aminocyclopentyl)-2-pyridin-4-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.32, 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-pyridin-4-ylethanone is sourced from PubChem (CID 116587341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).