1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone

C9H14N2O — CID 91235568

IUPAC1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=CC(N(C)C)=CC1
InChIInChI=1S/C9H14N2O/c1-8(12)11-6-4-9(5-7-11)10(2)3/h4-6H,7H2,1-3H3
InChIKeyVDIKXSQJSRZVDE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.81
Rot. Bonds1

About 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone

1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone (PubChem CID 91235568) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone
PubChem CID91235568
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1C=CC(N(C)C)=CC1
InChIInChI=1S/C9H14N2O/c1-8(12)11-6-4-9(5-7-11)10(2)3/h4-6H,7H2,1-3H3
InChIKeyVDIKXSQJSRZVDE-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone (CID 91235568) is 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone is CC(=O)N1C=CC(N(C)C)=CC1.
What is the InChIKey of 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone?
The InChIKey is VDIKXSQJSRZVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-8(12)11-6-4-9(5-7-11)10(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone?
1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 91235568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).