2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide

C14H19N3O3 — CID 82143469

IUPAC2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCC#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-3-16(4-2)13(18)11-20-12-7-5-9-17(14(12)19)10-6-8-15/h5,7,9H,3-4,6,10-11H2,1-2H3
InChIKeyRXVCDWIHZODQNI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds7

About 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide

2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (PubChem CID 82143469) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
PubChem CID82143469
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCC#N)c1=O
InChIInChI=1S/C14H19N3O3/c1-3-16(4-2)13(18)11-20-12-7-5-9-17(14(12)19)10-6-8-15/h5,7,9H,3-4,6,10-11H2,1-2H3
InChIKeyRXVCDWIHZODQNI-UHFFFAOYSA-N
XLogP1.01
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 82151935
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
CID 82143480
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-[2-(aminomethyl)phenoxy]-N,N-diethylacetamide
CID 16771866

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (CID 82143469) is 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccn(CCC#N)c1=O.
What is the InChIKey of 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The InChIKey is RXVCDWIHZODQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-16(4-2)13(18)11-20-12-7-5-9-17(14(12)19)10-6-8-15/h5,7,9H,3-4,6,10-11H2,1-2H3.
What are the key properties of 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide has a molecular weight of 277.32 g/mol, XLogP of 1.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is sourced from PubChem (CID 82143469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).