1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one

C11H17ClN2O2 — CID 82907275

IUPAC1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCOCCCl
InChIInChI=1S/C11H17ClN2O2/c12-4-9-16-10-6-13-5-8-14-7-2-1-3-11(14)15/h1-3,7,13H,4-6,8-10H2
InChIKeyUHADVMOUNPUFQY-UHFFFAOYSA-N
MW244.72 g/mol
LogP0.69
Rot. Bonds8

About 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one

1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one (PubChem CID 82907275) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
PubChem CID82907275
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNCCOCCCl
InChIInChI=1S/C11H17ClN2O2/c12-4-9-16-10-6-13-5-8-14-7-2-1-3-11(14)15/h1-3,7,13H,4-6,8-10H2
InChIKeyUHADVMOUNPUFQY-UHFFFAOYSA-N
XLogP0.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromopropylamino)ethyl]pyridin-2-one
CID 82907735
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-[2-(benzylamino)ethyl]pyridin-2-one
CID 55070999
4-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 82897026
1-[2-[3-(dimethylamino)propylamino]ethyl]pyridin-2-one
CID 62564162
2-[2-(2-oxo-1-pyridinyl)ethylamino]oxyacetamide
CID 112673701
1-[2-[2-(4-methoxyphenyl)ethylamino]ethyl]pyridin-2-one
CID 82897744
N-methyl-3-[2-(2-oxo-1-pyridinyl)ethylamino]propanamide
CID 82897118
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282
ethyl 3-[2-(2-oxo-1-pyridinyl)ethylamino]propanoate
CID 82897754
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582
1-[2-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]pyridin-2-one
CID 105416898

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one (CID 82907275) is 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one is O=c1ccccn1CCNCCOCCCl.
What is the InChIKey of 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one?
The InChIKey is UHADVMOUNPUFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c12-4-9-16-10-6-13-5-8-14-7-2-1-3-11(14)15/h1-3,7,13H,4-6,8-10H2.
What are the key properties of 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one?
1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one has a molecular weight of 244.72 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-chloroethoxy)ethylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82907275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).