5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

C14H21N3O3 — CID 62815151

IUPAC5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C14H21N3O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,15H2
InChIKeySIVZRYYSMAOGGU-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.19
Rot. Bonds5

About 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one

5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62815151) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62815151
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C14H21N3O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,15H2
InChIKeySIVZRYYSMAOGGU-UHFFFAOYSA-N
XLogP0.19
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62815151) is 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCCC2CCCO)c1.
What is the InChIKey of 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is SIVZRYYSMAOGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-11-5-6-13(19)16(9-11)10-14(20)17-7-1-3-12(17)4-2-8-18/h5-6,9,12,18H,1-4,7-8,10,15H2.
What are the key properties of 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62815151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).