1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one

C12H19ClN2O — CID 82907582

IUPAC1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
SMILESCC(CCCCl)NCCn1ccccc1=O
InChIInChI=1S/C12H19ClN2O/c1-11(5-4-7-13)14-8-10-15-9-3-2-6-12(15)16/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3
InChIKeyGKMJNXUVXOIMAJ-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.85
Rot. Bonds7

About 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one

1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one (PubChem CID 82907582) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
PubChem CID82907582
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one
SMILESCC(CCCCl)NCCn1ccccc1=O
InChIInChI=1S/C12H19ClN2O/c1-11(5-4-7-13)14-8-10-15-9-3-2-6-12(15)16/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3
InChIKeyGKMJNXUVXOIMAJ-UHFFFAOYSA-N
XLogP1.85
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-oxo-1-pyridinyl)ethylamino]butanamide
CID 115676590
1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897398
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[3-[1-(4-methylpiperazin-1-yl)propan-2-ylamino]propyl]pyridin-2-one
CID 131902087
1-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]pyridin-2-one
CID 82897772
1-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]pyridin-2-one
CID 78986308
1-[3-(2-methylpropylamino)propyl]pyridin-2-one
CID 62564337
1-[2-(1-methoxybutan-2-ylamino)ethyl]pyridin-2-one
CID 81334295
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
1-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl]pyridin-2-one
CID 82897282

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one (CID 82907582) is 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one is CC(CCCCl)NCCn1ccccc1=O.
What is the InChIKey of 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one?
The InChIKey is GKMJNXUVXOIMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-11(5-4-7-13)14-8-10-15-9-3-2-6-12(15)16/h2-3,6,9,11,14H,4-5,7-8,10H2,1H3.
What are the key properties of 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one?
1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one has a molecular weight of 242.75 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloropentan-2-ylamino)ethyl]pyridin-2-one is sourced from PubChem (CID 82907582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).