N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide

C13H18N4O2 — CID 79776242

IUPACN-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NCCC#N)cn1
InChIInChI=1S/C13H18N4O2/c1-2-15-8-11-4-5-12(9-17-11)19-10-13(18)16-7-3-6-14/h4-5,9,15H,2-3,7-8,10H2,1H3,(H,16,18)
InChIKeyWMQLGIACZCNRCJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.60
Rot. Bonds8

About N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide

N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide (PubChem CID 79776242) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
PubChem CID79776242
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide
SMILESCCNCc1ccc(OCC(=O)NCCC#N)cn1
InChIInChI=1S/C13H18N4O2/c1-2-15-8-11-4-5-12(9-17-11)19-10-13(18)16-7-3-6-14/h4-5,9,15H,2-3,7-8,10H2,1H3,(H,16,18)
InChIKeyWMQLGIACZCNRCJ-UHFFFAOYSA-N
XLogP0.60
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-cyanoethylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79795043
N-ethyl-2-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79793839
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
N-(2-cyanoethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 60881968
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78936989
N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781850
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
2-[4-[(tert-butylamino)methyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 63062702
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-(3-methylbutyl)-2-[[6-[(propan-2-ylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79781895
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N-(2-cyanoethyl)acetamide
CID 60882577
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylethanone
CID 79775446

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide (CID 79776242) is N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide is CCNCc1ccc(OCC(=O)NCCC#N)cn1.
What is the InChIKey of N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide?
The InChIKey is WMQLGIACZCNRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-15-8-11-4-5-12(9-17-11)19-10-13(18)16-7-3-6-14/h4-5,9,15H,2-3,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide?
N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide has a molecular weight of 262.31 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]acetamide is sourced from PubChem (CID 79776242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).