1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone

C10H14N2O — CID 130654774

IUPAC1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
SMILESCN[C@@H](C)c1ccc(C(C)=O)cn1
InChIInChI=1S/C10H14N2O/c1-7(11-3)10-5-4-9(6-12-10)8(2)13/h4-7,11H,1-3H3/t7-/m0/s1
InChIKeyXFZGBNNYNYBKIB-ZETCQYMHSA-N
MW178.23 g/mol
LogP1.56
Rot. Bonds3

About 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone

1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone (PubChem CID 130654774) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
PubChem CID130654774
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
SMILESCN[C@@H](C)c1ccc(C(C)=O)cn1
InChIInChI=1S/C10H14N2O/c1-7(11-3)10-5-4-9(6-12-10)8(2)13/h4-7,11H,1-3H3/t7-/m0/s1
InChIKeyXFZGBNNYNYBKIB-ZETCQYMHSA-N
XLogP1.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
CID 83123655
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
CID 171408447
CID 171408447
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
6-propan-2-ylpyridine-3-carboxamide
CID 821161
N-methyl-1-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 83127836
N-[[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736462
methyl 4-[1-(5-fluoro-2-pyridinyl)ethylamino]benzoate
CID 83117275
N-(4-methoxyphenyl)-N-methyl-6-[1-(methylamino)ethyl]pyridin-3-amine
CID 83121943
N-methyl-1-(5-propoxy-2-pyridinyl)ethanamine
CID 83124006
methyl 6-(1-hydroxy-2-methylpropyl)pyridine-3-carboxylate
CID 146650272

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone (CID 130654774) is 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone is CN[C@@H](C)c1ccc(C(C)=O)cn1.
What is the InChIKey of 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone?
The InChIKey is XFZGBNNYNYBKIB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(11-3)10-5-4-9(6-12-10)8(2)13/h4-7,11H,1-3H3/t7-/m0/s1.
What are the key properties of 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone?
1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone is sourced from PubChem (CID 130654774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).