3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

C18H21N3O2 — CID 45269985

IUPAC3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17(20-10-4-5-11-20)14-21-12-6-9-16(18(21)23)19-13-15-7-2-1-3-8-15/h1-3,6-9,12,19H,4-5,10-11,13-14H2
InChIKeyDLXQQSBBJBMYLG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.08
Rot. Bonds5

About 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one

3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (PubChem CID 45269985) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
PubChem CID45269985
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one
SMILESO=C(Cn1cccc(NCc2ccccc2)c1=O)N1CCCC1
InChIInChI=1S/C18H21N3O2/c22-17(20-10-4-5-11-20)14-21-12-6-9-16(18(21)23)19-13-15-7-2-1-3-8-15/h1-3,6-9,12,19H,4-5,10-11,13-14H2
InChIKeyDLXQQSBBJBMYLG-UHFFFAOYSA-N
XLogP2.08
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The IUPAC name of 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one (CID 45269985) is 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one.
What is the SMILES notation for 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The canonical SMILES for 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is O=C(Cn1cccc(NCc2ccccc2)c1=O)N1CCCC1.
What is the InChIKey of 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
The InChIKey is DLXQQSBBJBMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(20-10-4-5-11-20)14-21-12-6-9-16(18(21)23)19-13-15-7-2-1-3-8-15/h1-3,6-9,12,19H,4-5,10-11,13-14H2.
What are the key properties of 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one?
3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridin-2-one is sourced from PubChem (CID 45269985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).