3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one

C12H18N2O2 — CID 116612385

IUPAC3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
SMILESCCOc1cncc(C(=O)C(C)C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-4-16-11-5-10(6-14-7-11)12(15)8(2)9(3)13/h5-9H,4,13H2,1-3H3
InChIKeyJVQCSKXXTCOVGX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.65
Rot. Bonds5

About 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one

3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one (PubChem CID 116612385) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
PubChem CID116612385
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
SMILESCCOc1cncc(C(=O)C(C)C(C)N)c1
InChIInChI=1S/C12H18N2O2/c1-4-16-11-5-10(6-14-7-11)12(15)8(2)9(3)13/h5-9H,4,13H2,1-3H3
InChIKeyJVQCSKXXTCOVGX-UHFFFAOYSA-N
XLogP1.65
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793668
2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 116680661
3-(aminomethyl)-1-(5-ethoxy-3-pyridinyl)pentan-1-one
CID 116596399
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
[4-(aminomethyl)phenyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116548333
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566547
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
3-amino-1-(5-methoxy-3-pyridinyl)butan-1-one
CID 116555889

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one (CID 116612385) is 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one is CCOc1cncc(C(=O)C(C)C(C)N)c1.
What is the InChIKey of 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one?
The InChIKey is JVQCSKXXTCOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-11-5-10(6-14-7-11)12(15)8(2)9(3)13/h5-9H,4,13H2,1-3H3.
What are the key properties of 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one?
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one is sourced from PubChem (CID 116612385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).