1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one

C14H21ClN2O — CID 102860438

IUPAC1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CCCCl)C1CCC1
InChIInChI=1S/C14H21ClN2O/c15-8-4-10-16(13-5-3-6-13)11-12-17-9-2-1-7-14(17)18/h1-2,7,9,13H,3-6,8,10-12H2
InChIKeyXQVBQILEPBKKAX-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.33
Rot. Bonds7

About 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one

1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one (PubChem CID 102860438) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one
PubChem CID102860438
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN(CCCCl)C1CCC1
InChIInChI=1S/C14H21ClN2O/c15-8-4-10-16(13-5-3-6-13)11-12-17-9-2-1-7-14(17)18/h1-2,7,9,13H,3-6,8,10-12H2
InChIKeyXQVBQILEPBKKAX-UHFFFAOYSA-N
XLogP2.33
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-aminocyclohexyl)-ethylamino]ethyl]pyridin-2-one
CID 82907487
1-[2-[cyclopropyl(piperidin-4-ylmethyl)amino]ethyl]pyridin-2-one
CID 82908092
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
N-(2-chloroethyl)-N-[2-(2-methylimidazol-1-yl)ethyl]cyclobutanamine
CID 102861371
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
N-cyclopentyl-N-cyclopropyl-2-(2-oxo-1-pyridinyl)acetamide
CID 75414353
1-[2-[methyl(piperidin-3-ylmethyl)amino]ethyl]pyridin-2-one
CID 106637121
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
1-[2-[(2-chlorocyclopentyl)methylamino]ethyl]pyridin-2-one
CID 82907204
2-[3-chloropropyl(cyclopentyl)amino]ethanol
CID 55208194
1-[2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]ethyl]pyridin-2-one
CID 126917477
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
CID 82907582

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one (CID 102860438) is 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCN(CCCCl)C1CCC1.
What is the InChIKey of 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one?
The InChIKey is XQVBQILEPBKKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-8-4-10-16(13-5-3-6-13)11-12-17-9-2-1-7-14(17)18/h1-2,7,9,13H,3-6,8,10-12H2.
What are the key properties of 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one?
1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one has a molecular weight of 268.79 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloropropyl(cyclobutyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 102860438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).