1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one

C13H20N2O2 — CID 116747229

IUPAC1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cnccc1N
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,17-6-3)12(16)10-9-15-8-7-11(10)14/h7-9H,4-6H2,1-3H3,(H2,14,15)
InChIKeyBBHUKYXCKQUYFY-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.44
Rot. Bonds6

About 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one

1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one (PubChem CID 116747229) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
PubChem CID116747229
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)c1cnccc1N
InChIInChI=1S/C13H20N2O2/c1-4-13(5-2,17-6-3)12(16)10-9-15-8-7-11(10)14/h7-9H,4-6H2,1-3H3,(H2,14,15)
InChIKeyBBHUKYXCKQUYFY-UHFFFAOYSA-N
XLogP2.44
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-2-ethyl-1-(3-fluoro-4-pyridinyl)butan-1-one
CID 116747310
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
2-amino-1-(4-amino-3-pyridinyl)-2-methylpentan-1-one
CID 116556928
2-amino-1-(4-amino-3-pyridinyl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592894
1-(4-amino-3-pyridinyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79068133
1-(4-amino-3-pyridinyl)-3-ethoxy-3-methylpentan-2-one
CID 116747071
3-(1-ethoxyethenyl)pyridin-4-amine
CID 165464392
4-amino-N-(2,2-dimethylbutyl)pyridine-3-carboxamide
CID 103464710
1-(4-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458733
1-(4-amino-3-pyridinyl)-2-(azepan-1-yl)-2-methylpropan-1-one
CID 79051639
1-(3-bromo-2,4-dimethoxyphenyl)-2-ethoxy-2-ethylbutan-1-one
CID 103523139

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one (CID 116747229) is 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one is CCOC(CC)(CC)C(=O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
The InChIKey is BBHUKYXCKQUYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(5-2,17-6-3)12(16)10-9-15-8-7-11(10)14/h7-9H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one?
1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-ethoxy-2-ethylbutan-1-one is sourced from PubChem (CID 116747229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).