4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one

C13H18ClN3O — CID 168687443

IUPAC4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(N2CC(Cl)CC2=O)cn1
InChIInChI=1S/C13H18ClN3O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyFQLQNFYDRIMOME-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.27
Rot. Bonds4

About 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one

4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one (PubChem CID 168687443) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
PubChem CID168687443
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
SMILESCCN(CC)c1ccc(N2CC(Cl)CC2=O)cn1
InChIInChI=1S/C13H18ClN3O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyFQLQNFYDRIMOME-UHFFFAOYSA-N
XLogP2.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.27
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

4-amino-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168699241
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(4-iodophenyl)pyrrolidin-2-one
CID 168689225
4-chloro-1-(4-sulfanylphenyl)pyrrolidin-2-one
CID 168689243
4-chloro-1-[4-(methoxymethyl)phenyl]pyrrolidin-2-one
CID 168687750
4-chloro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrrolidin-2-one
CID 168687248
4-(bromomethyl)-1-(6-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168505603
4-(bromomethyl)-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168504461
4-(chloromethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
CID 168507124
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one (CID 168687443) is 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one is CCN(CC)c1ccc(N2CC(Cl)CC2=O)cn1.
What is the InChIKey of 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is FQLQNFYDRIMOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-3-16(4-2)12-6-5-11(8-15-12)17-9-10(14)7-13(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one?
4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[6-(diethylamino)-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 168687443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).