4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one

C13H15N3O — CID 168501619

IUPAC4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNc2ccccn2)C1
InChIInChI=1S/C13H15N3O/c1-2-11-9-13(17)16(10-11)8-7-15-12-5-3-4-6-14-12/h1,3-6,11H,7-10H2,(H,14,15)
InChIKeyBSKFGMLXTZCWFU-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.98
Rot. Bonds4

About 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one

4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one (PubChem CID 168501619) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
PubChem CID168501619
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(CCNc2ccccn2)C1
InChIInChI=1S/C13H15N3O/c1-2-11-9-13(17)16(10-11)8-7-15-12-5-3-4-6-14-12/h1,3-6,11H,7-10H2,(H,14,15)
InChIKeyBSKFGMLXTZCWFU-UHFFFAOYSA-N
XLogP0.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(pyridin-2-ylamino)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670940
4-(chloromethyl)-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one
CID 168508263
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
1-[2-(ethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168500489
1-[2-(2-aminoethylamino)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501612
1-[2-(2-chlorophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501653
4-ethynyl-1-(isoquinolin-1-ylmethyl)pyrrolidin-2-one
CID 168501873
4-ethynyl-1-(2-phenylmethoxyethyl)pyrrolidin-2-one
CID 168501625
4-ethynyl-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidin-2-one
CID 168501682
1-[2-(4-bromophenyl)ethyl]-4-ethynylpyrrolidin-2-one
CID 168501644
N-pent-4-ynylpyridin-2-amine
CID 103704473
4-ethynyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168501821

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one (CID 168501619) is 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one is C#CC1CC(=O)N(CCNc2ccccn2)C1.
What is the InChIKey of 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one?
The InChIKey is BSKFGMLXTZCWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-11-9-13(17)16(10-11)8-7-15-12-5-3-4-6-14-12/h1,3-6,11H,7-10H2,(H,14,15).
What are the key properties of 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one?
4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[2-(pyridin-2-ylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168501619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).