2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile

C12H16N2O2 — CID 82146374

IUPAC2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
SMILESCCCOc1cccn(CC(C)C#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-3-7-16-11-5-4-6-14(12(11)15)9-10(2)8-13/h4-6,10H,3,7,9H2,1-2H3
InChIKeyQGAZMPJMYGXVCV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile

2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile (PubChem CID 82146374) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
PubChem CID82146374
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
SMILESCCCOc1cccn(CC(C)C#N)c1=O
InChIInChI=1S/C12H16N2O2/c1-3-7-16-11-5-4-6-14(12(11)15)9-10(2)8-13/h4-6,10H,3,7,9H2,1-2H3
InChIKeyQGAZMPJMYGXVCV-UHFFFAOYSA-N
XLogP1.80
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
CID 82146371
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
1-(2-aminobutyl)-3-(2-phenylethoxy)pyridin-2-one
CID 82144044
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150670
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile?
The IUPAC name of 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile (CID 82146374) is 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile?
The canonical SMILES for 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile is CCCOc1cccn(CC(C)C#N)c1=O.
What is the InChIKey of 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile?
The InChIKey is QGAZMPJMYGXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-7-16-11-5-4-6-14(12(11)15)9-10(2)8-13/h4-6,10H,3,7,9H2,1-2H3.
What are the key properties of 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile?
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile has a molecular weight of 220.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile is sourced from PubChem (CID 82146374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).