1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one

C12H18N2O2 — CID 116566547

IUPAC1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1cncc(C(=O)C(C)(C)NC)c1
InChIInChI=1S/C12H18N2O2/c1-5-16-10-6-9(7-14-8-10)11(15)12(2,3)13-4/h6-8,13H,5H2,1-4H3
InChIKeyWCKHQUKORITFCP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.66
Rot. Bonds5

About 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one

1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one (PubChem CID 116566547) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
PubChem CID116566547
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
SMILESCCOc1cncc(C(=O)C(C)(C)NC)c1
InChIInChI=1S/C12H18N2O2/c1-5-16-10-6-9(7-14-8-10)11(15)12(2,3)13-4/h6-8,13H,5H2,1-4H3
InChIKeyWCKHQUKORITFCP-UHFFFAOYSA-N
XLogP1.66
TPSA51.22 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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-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

2-methyl-2-(methylamino)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 116566359
1-(5-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566393
2-amino-1-(5-ethoxy-3-pyridinyl)-2-methylpentan-1-one
CID 116557169
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
1-(3,4-diethoxyphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116566524
1-(5-ethoxy-3-pyridinyl)heptan-1-one
CID 115793819
3-amino-1-(5-ethoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116612385
2-(cyclopropylamino)-1-(5-ethoxy-3-pyridinyl)ethanone
CID 116555212
[1-(aminomethyl)cycloheptyl]-(5-ethoxy-3-pyridinyl)methanone
CID 116602231
3-cyclopentyl-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 115793861
2-ethoxy-1-(5-methoxy-3-pyridinyl)-2-methylbutan-1-one
CID 116746948
1-(5-ethoxy-3-pyridinyl)-2-methylsulfonylpropan-1-one
CID 115793668

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one (CID 116566547) is 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one is CCOc1cncc(C(=O)C(C)(C)NC)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
The InChIKey is WCKHQUKORITFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-16-10-6-9(7-14-8-10)11(15)12(2,3)13-4/h6-8,13H,5H2,1-4H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one?
1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-2-methyl-2-(methylamino)propan-1-one is sourced from PubChem (CID 116566547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).