3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one

C14H21N3O2 — CID 146590244

IUPAC3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCCC(=O)C1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C14H21N3O2/c1-2-13(18)12-6-4-7-16(12)9-10-17-8-3-5-11(15)14(17)19/h3,5,8,12H,2,4,6-7,9-10,15H2,1H3
InChIKeySYGKFOSIKTZYRP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.87
Rot. Bonds5

About 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one

3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one (PubChem CID 146590244) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one
PubChem CID146590244
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one
SMILESCCC(=O)C1CCCN1CCn1cccc(N)c1=O
InChIInChI=1S/C14H21N3O2/c1-2-13(18)12-6-4-7-16(12)9-10-17-8-3-5-11(15)14(17)19/h3,5,8,12H,2,4,6-7,9-10,15H2,1H3
InChIKeySYGKFOSIKTZYRP-UHFFFAOYSA-N
XLogP0.87
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one (CID 146590244) is 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one is CCC(=O)C1CCCN1CCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is SYGKFOSIKTZYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-13(18)12-6-4-7-16(12)9-10-17-8-3-5-11(15)14(17)19/h3,5,8,12H,2,4,6-7,9-10,15H2,1H3.
What are the key properties of 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one?
3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-propanoylpyrrolidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 146590244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).