2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone

C10H14N2O — CID 79078017

IUPAC2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)CN(C)C
InChIInChI=1S/C10H14N2O/c1-8-4-5-11-6-9(8)10(13)7-12(2)3/h4-6H,7H2,1-3H3
InChIKeyQGKUXGQGLKLIJE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.13
Rot. Bonds3

About 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone

2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 79078017) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID79078017
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)CN(C)C
InChIInChI=1S/C10H14N2O/c1-8-4-5-11-6-9(8)10(13)7-12(2)3/h4-6H,7H2,1-3H3
InChIKeyQGKUXGQGLKLIJE-UHFFFAOYSA-N
XLogP1.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone (CID 79078017) is 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is QGKUXGQGLKLIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-4-5-11-6-9(8)10(13)7-12(2)3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone?
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 178.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 79078017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).