N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide

C16H23N3O3 — CID 82151935

IUPACN-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1cccn(CCCC#N)c1=O
InChIInChI=1S/C16H23N3O3/c1-3-4-10-18(2)15(20)13-22-14-8-7-12-19(16(14)21)11-6-5-9-17/h7-8,12H,3-6,10-11,13H2,1-2H3
InChIKeyOLVACNQEDVVBDY-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.79
Rot. Bonds9

About N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide

N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide (PubChem CID 82151935) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
PubChem CID82151935
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide
SMILESCCCCN(C)C(=O)COc1cccn(CCCC#N)c1=O
InChIInChI=1S/C16H23N3O3/c1-3-4-10-18(2)15(20)13-22-14-8-7-12-19(16(14)21)11-6-5-9-17/h7-8,12H,3-6,10-11,13H2,1-2H3
InChIKeyOLVACNQEDVVBDY-UHFFFAOYSA-N
XLogP1.79
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.79
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

4-[3-[2-[butyl(methyl)amino]-2-oxoethoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 82151424
2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82151934
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
2-[[1-(4-aminobutyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143309
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
2-[3-[2-(diethylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
CID 82056062
2-(2-acetamidophenoxy)-N-(2-cyanoethyl)-N-methylacetamide
CID 43384578

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The IUPAC name of N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide (CID 82151935) is N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide is CCCCN(C)C(=O)COc1cccn(CCCC#N)c1=O.
What is the InChIKey of N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide?
The InChIKey is OLVACNQEDVVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-4-10-18(2)15(20)13-22-14-8-7-12-19(16(14)21)11-6-5-9-17/h7-8,12H,3-6,10-11,13H2,1-2H3.
What are the key properties of N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide?
N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide has a molecular weight of 305.38 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[1-(3-cyanopropyl)-2-oxo-3-pyridinyl]oxy]-N-methylacetamide is sourced from PubChem (CID 82151935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).