2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone

C12H16N2O2 — CID 103447755

IUPAC2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESNc1ccncc1CC(=O)C1(O)CCCC1
InChIInChI=1S/C12H16N2O2/c13-10-3-6-14-8-9(10)7-11(15)12(16)4-1-2-5-12/h3,6,8,16H,1-2,4-5,7H2,(H2,13,14)
InChIKeyDMQDDJROCLLCDW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.08
Rot. Bonds3

About 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone

2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone (PubChem CID 103447755) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
PubChem CID103447755
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone
SMILESNc1ccncc1CC(=O)C1(O)CCCC1
InChIInChI=1S/C12H16N2O2/c13-10-3-6-14-8-9(10)7-11(15)12(16)4-1-2-5-12/h3,6,8,16H,1-2,4-5,7H2,(H2,13,14)
InChIKeyDMQDDJROCLLCDW-UHFFFAOYSA-N
XLogP1.08
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-aminocyclopentyl)-2-(4-amino-3-pyridinyl)ethanone
CID 116558765
2-(4-amino-3-pyridinyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569400
2-(4-amino-3-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750361
(4-amino-3-pyridinyl)-(1-hydroxycyclopentyl)methanone
CID 103447715
8-[(4-amino-3-pyridinyl)methyl]spiro[4.5]decan-8-ol
CID 114819310
2-(4-amino-3-pyridinyl)-1-cyclobutylethanone
CID 64981791
1-(4-amino-3-pyridinyl)-3-methylbut-3-en-2-one
CID 103446391
1-(4-amino-3-pyridinyl)-3-methoxybutan-2-one
CID 79617121
2-(3-chloro-4-pyridinyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450636
2-(4-amino-3-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450475
1-(4-amino-3-pyridinyl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588569
4-(4-amino-3-pyridinyl)butan-2-one
CID 64522504

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone?
The IUPAC name of 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone (CID 103447755) is 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone.
What is the SMILES notation for 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone?
The canonical SMILES for 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone is Nc1ccncc1CC(=O)C1(O)CCCC1.
What is the InChIKey of 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone?
The InChIKey is DMQDDJROCLLCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-3-6-14-8-9(10)7-11(15)12(16)4-1-2-5-12/h3,6,8,16H,1-2,4-5,7H2,(H2,13,14).
What are the key properties of 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone?
2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-pyridinyl)-1-(1-hydroxycyclopentyl)ethanone is sourced from PubChem (CID 103447755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).