1-(dimethylamino)-3-pyridin-4-ylpropan-2-one

C10H14N2O — CID 79078210

IUPAC1-(dimethylamino)-3-pyridin-4-ylpropan-2-one
SMILESCN(C)CC(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c1-12(2)8-10(13)7-9-3-5-11-6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyANUOLEPPFZXOPW-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.75
Rot. Bonds4

About 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one

1-(dimethylamino)-3-pyridin-4-ylpropan-2-one (PubChem CID 79078210) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-pyridin-4-ylpropan-2-one
PubChem CID79078210
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(dimethylamino)-3-pyridin-4-ylpropan-2-one
SMILESCN(C)CC(=O)Cc1ccncc1
InChIInChI=1S/C10H14N2O/c1-12(2)8-10(13)7-9-3-5-11-6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyANUOLEPPFZXOPW-UHFFFAOYSA-N
XLogP0.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
5-amino-1-pyridin-4-ylpentan-2-one
CID 116553409
3-oxo-4-pyridin-4-ylbutanenitrile
CID 57109243
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
7-methyl-1-pyridin-4-yloctan-2-one
CID 160568287
2-[carboxymethyl-[methyl(pyridin-4-ylmethyl)carbamoyl]amino]acetic acid
CID 63645779
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62622512
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-4-ylacetamide
CID 103960990
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
N-ethenyl-2-pyridin-4-ylacetamide
CID 174939088
2-[2-methoxyethyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 54969241
N-ethyl-N-(3-hydroxypropyl)-2-pyridin-4-ylacetamide
CID 115997546

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one (CID 79078210) is 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one is CN(C)CC(=O)Cc1ccncc1.
What is the InChIKey of 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one?
The InChIKey is ANUOLEPPFZXOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12(2)8-10(13)7-9-3-5-11-6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one?
1-(dimethylamino)-3-pyridin-4-ylpropan-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 79078210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).