2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone

C12H16N2O2 — CID 116555212

IUPAC2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
SMILESCCOc1cncc(C(=O)CNC2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-2-16-11-5-9(6-13-7-11)12(15)8-14-10-3-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyJKIUGLCTTWWOQW-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.41
Rot. Bonds6

About 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone

2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone (PubChem CID 116555212) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
PubChem CID116555212
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
SMILESCCOc1cncc(C(=O)CNC2CC2)c1
InChIInChI=1S/C12H16N2O2/c1-2-16-11-5-9(6-13-7-11)12(15)8-14-10-3-4-10/h5-7,10,14H,2-4,8H2,1H3
InChIKeyJKIUGLCTTWWOQW-UHFFFAOYSA-N
XLogP1.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
(5-ethoxy-3-pyridinyl)-(2-methylcyclopentyl)methanone
CID 107187365
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
(5-ethoxy-3-pyridinyl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105124093
(5-ethoxy-3-pyridinyl)-(1-hydroxy-4-methylcyclohexyl)methanone
CID 103450649
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone (CID 116555212) is 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone is CCOc1cncc(C(=O)CNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone?
The InChIKey is JKIUGLCTTWWOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-11-5-9(6-13-7-11)12(15)8-14-10-3-4-10/h5-7,10,14H,2-4,8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone?
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone is sourced from PubChem (CID 116555212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).