1-[4-(diethylamino)-3-pyridinyl]ethanone

C11H16N2O — CID 83878130

IUPAC1-[4-(diethylamino)-3-pyridinyl]ethanone
SMILESCCN(CC)c1ccncc1C(C)=O
InChIInChI=1S/C11H16N2O/c1-4-13(5-2)11-6-7-12-8-10(11)9(3)14/h6-8H,4-5H2,1-3H3
InChIKeyGRDVFHDWFWIRCV-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds4

About 1-[4-(diethylamino)-3-pyridinyl]ethanone

1-[4-(diethylamino)-3-pyridinyl]ethanone (PubChem CID 83878130) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-(diethylamino)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(diethylamino)-3-pyridinyl]ethanone
PubChem CID83878130
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-[4-(diethylamino)-3-pyridinyl]ethanone
SMILESCCN(CC)c1ccncc1C(C)=O
InChIInChI=1S/C11H16N2O/c1-4-13(5-2)11-6-7-12-8-10(11)9(3)14/h6-8H,4-5H2,1-3H3
InChIKeyGRDVFHDWFWIRCV-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 107399152
4-[ethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81233141
N,N-diethyl-3-fluoropyridin-4-amine
CID 91326700
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
3-acetylpyridine-4-carboxylic acid
CID 19902844
[3-(diethylamino)-4-pyridinyl]methanol
CID 105066644
2-[(3-amino-4-pyridinyl)-ethylamino]acetamide
CID 103101114
3-[ethyl(2-hydroxyethyl)amino]pyridine-4-carboxylic acid
CID 105062611
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
1-[4-(chloromethyl)-3-pyridinyl]ethanone;hydrochloride
CID 131874634
2-[(3-bromo-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104778072
4-(dibenzylamino)pyridine-3-carboxylic acid
CID 130163001

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-(diethylamino)-3-pyridinyl]ethanone (CID 83878130) is 1-[4-(diethylamino)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(diethylamino)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(diethylamino)-3-pyridinyl]ethanone is CCN(CC)c1ccncc1C(C)=O.
What is the InChIKey of 1-[4-(diethylamino)-3-pyridinyl]ethanone?
The InChIKey is GRDVFHDWFWIRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-4-13(5-2)11-6-7-12-8-10(11)9(3)14/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)-3-pyridinyl]ethanone?
1-[4-(diethylamino)-3-pyridinyl]ethanone has a molecular weight of 192.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-3-pyridinyl]ethanone is sourced from PubChem (CID 83878130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).