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

C14H21N3O2 — CID 45269129

IUPAC1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
SMILESCCCNc1cccn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-2-7-15-12-6-5-10-17(14(12)19)11-13(18)16-8-3-4-9-16/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyCTUCERKICZABBJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.29
Rot. Bonds5

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

1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one (PubChem CID 45269129) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
PubChem CID45269129
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one
SMILESCCCNc1cccn(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H21N3O2/c1-2-7-15-12-6-5-10-17(14(12)19)11-13(18)16-8-3-4-9-16/h5-6,10,15H,2-4,7-9,11H2,1H3
InChIKeyCTUCERKICZABBJ-UHFFFAOYSA-N
XLogP1.29
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one?
The IUPAC name of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one (CID 45269129) is 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one.
What is the SMILES notation for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one?
The canonical SMILES for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one is CCCNc1cccn(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one?
The InChIKey is CTUCERKICZABBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-7-15-12-6-5-10-17(14(12)19)11-13(18)16-8-3-4-9-16/h5-6,10,15H,2-4,7-9,11H2,1H3.
What are the key properties of 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one?
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(propylamino)pyridin-2-one is sourced from PubChem (CID 45269129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).