2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone

C9H14N2O — CID 69178649

IUPAC2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone
SMILESCN(C)CC(=O)N1C=CC=CC1
InChIInChI=1S/C9H14N2O/c1-10(2)8-9(12)11-6-4-3-5-7-11/h3-6H,7-8H2,1-2H3
InChIKeyDVDUNRROXFXMOV-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.46
Rot. Bonds2

About 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone

2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone (PubChem CID 69178649) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone
PubChem CID69178649
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone
SMILESCN(C)CC(=O)N1C=CC=CC1
InChIInChI=1S/C9H14N2O/c1-10(2)8-9(12)11-6-4-3-5-7-11/h3-6H,7-8H2,1-2H3
InChIKeyDVDUNRROXFXMOV-UHFFFAOYSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone (CID 69178649) is 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone is CN(C)CC(=O)N1C=CC=CC1.
What is the InChIKey of 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone?
The InChIKey is DVDUNRROXFXMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-10(2)8-9(12)11-6-4-3-5-7-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone?
2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone has a molecular weight of 166.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 69178649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).