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

C15H21N3O3 — CID 82151934

IUPAC2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCCC#N)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,10,12H2,1-2H3
InChIKeyXRXLSRFUAPWMFD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.40
Rot. Bonds8

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

2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (PubChem CID 82151934) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
PubChem CID82151934
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1cccn(CCCC#N)c1=O
InChIInChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,10,12H2,1-2H3
InChIKeyXRXLSRFUAPWMFD-UHFFFAOYSA-N
XLogP1.40
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
CID 82151935
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
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
5-[3-(2-methylprop-2-enoxy)-2-oxo-1-pyridinyl]pentanoic acid
CID 82151547
4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N-(cyanomethyl)-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 94689354
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The IUPAC name of 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide (CID 82151934) is 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1cccn(CCCC#N)c1=O.
What is the InChIKey of 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
The InChIKey is XRXLSRFUAPWMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-17(4-2)14(19)12-21-13-8-7-11-18(15(13)20)10-6-5-9-16/h7-8,11H,3-6,10,12H2,1-2H3.
What are the key properties of 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide?
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide has a molecular weight of 291.35 g/mol, XLogP of 1.40, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide is sourced from PubChem (CID 82151934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).