2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide

C12H17ClN2O2 — CID 65102205

IUPAC2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-15(5-2)12(16)9(3)17-10-7-6-8-14-11(10)13/h6-9H,4-5H2,1-3H3
InChIKeySTXIVYJRIVGNPQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.37
Rot. Bonds5

About 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide

2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide (PubChem CID 65102205) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
PubChem CID65102205
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cccnc1Cl
InChIInChI=1S/C12H17ClN2O2/c1-4-15(5-2)12(16)9(3)17-10-7-6-8-14-11(10)13/h6-9H,4-5H2,1-3H3
InChIKeySTXIVYJRIVGNPQ-UHFFFAOYSA-N
XLogP2.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide
CID 12906196
2-(5-aminoquinolin-8-yl)oxy-N,N-diethylpropanamide
CID 60863149
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
3-butan-2-yloxy-2-chloropyridine
CID 65102026
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
N,N-diethyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide
CID 78930736
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 134037927
2-[(2-chloro-3-pyridinyl)oxy]-N-(2-phenylethyl)propanamide
CID 10990375
N,N-diethyl-2-isoquinolin-1-yloxypropanamide
CID 71372885
2-[2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylpropanamide
CID 43277371
(2-chloro-3-pyridinyl) 2-hydroxypropanoate
CID 131201350
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide (CID 65102205) is 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
The InChIKey is STXIVYJRIVGNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-4-15(5-2)12(16)9(3)17-10-7-6-8-14-11(10)13/h6-9H,4-5H2,1-3H3.
What are the key properties of 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide?
2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide has a molecular weight of 256.73 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)oxy]-N,N-diethylpropanamide is sourced from PubChem (CID 65102205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).