4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile

C17H19N3O2 — CID 82150670

IUPAC4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
SMILESCN(C)CCOc1cccn(Cc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C17H19N3O2/c1-19(2)10-11-22-16-4-3-9-20(17(16)21)13-15-7-5-14(12-18)6-8-15/h3-9H,10-11,13H2,1-2H3
InChIKeyZWAJRTCASVHTJG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.71
Rot. Bonds6

About 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile

4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile (PubChem CID 82150670) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
PubChem CID82150670
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
SMILESCN(C)CCOc1cccn(Cc2ccc(C#N)cc2)c1=O
InChIInChI=1S/C17H19N3O2/c1-19(2)10-11-22-16-4-3-9-20(17(16)21)13-15-7-5-14(12-18)6-8-15/h3-9H,10-11,13H2,1-2H3
InChIKeyZWAJRTCASVHTJG-UHFFFAOYSA-N
XLogP1.71
TPSA58.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-oxo-3-prop-2-enoxy-1-pyridinyl)methyl]benzonitrile
CID 82150658
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
1-(4-aminobutyl)-3-[2-(dimethylamino)ethoxy]pyridin-2-one
CID 82143334
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
CID 82056239
3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 60667254
1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
3-[3-(dimethylamino)propoxy]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 82151025
4-[4-[(3-hydroxy-2-sulfanylidene-1-pyridinyl)methyl]phenyl]benzonitrile
CID 71142076
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
4-[(2-oxo-1,3-thiazol-3-yl)methyl]benzonitrile
CID 55219191

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile (CID 82150670) is 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile is CN(C)CCOc1cccn(Cc2ccc(C#N)cc2)c1=O.
What is the InChIKey of 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile?
The InChIKey is ZWAJRTCASVHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19(2)10-11-22-16-4-3-9-20(17(16)21)13-15-7-5-14(12-18)6-8-15/h3-9H,10-11,13H2,1-2H3.
What are the key properties of 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile?
4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile has a molecular weight of 297.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile is sourced from PubChem (CID 82150670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).