1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one

C11H10ClN3O — CID 168502470

IUPAC1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnc(Cl)c2N)C1
InChIInChI=1S/C11H10ClN3O/c1-2-7-5-9(16)15(6-7)8-3-4-14-11(12)10(8)13/h1,3-4,7H,5-6,13H2
InChIKeyPGFMHQCIDLEEIR-UHFFFAOYSA-N
MW235.67 g/mol
LogP1.30
Rot. Bonds1

About 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one

1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one (PubChem CID 168502470) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one
PubChem CID168502470
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnc(Cl)c2N)C1
InChIInChI=1S/C11H10ClN3O/c1-2-7-5-9(16)15(6-7)8-3-4-14-11(12)10(8)13/h1,3-4,7H,5-6,13H2
InChIKeyPGFMHQCIDLEEIR-UHFFFAOYSA-N
XLogP1.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-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-(4-amino-2-chloro-3-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502469
1-(3-chloropyrazin-2-yl)-4-ethynylpyrrolidin-2-one
CID 168503059
1-(2-chloro-4,5-difluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168502070
1-(5-chloro-2-hydroxyphenyl)-4-ethynylpyrrolidin-2-one
CID 168502101
1-(2-chloro-4-hydroxyphenyl)-4-ethynylpyrrolidin-2-one
CID 168502395
1-(5-amino-2-pyridinyl)-4-ethynylpyrrolidin-2-one
CID 168502286
1-(5-bromo-6-chloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168503065
1-(2-amino-6-chloropyrimidin-4-yl)-4-ethynylpyrrolidin-2-one
CID 168502718
4-ethynyl-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168501102
5-chloro-2-(4-ethynyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168502365
4-ethynyl-1-(2-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 168502435
1-(5-chloro-2-methylsulfanylphenyl)-4-ethynylpyrrolidin-2-one
CID 168500978

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one?
The IUPAC name of 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one (CID 168502470) is 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one.
What is the SMILES notation for 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one?
The canonical SMILES for 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one is C#CC1CC(=O)N(c2ccnc(Cl)c2N)C1.
What is the InChIKey of 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one?
The InChIKey is PGFMHQCIDLEEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-2-7-5-9(16)15(6-7)8-3-4-14-11(12)10(8)13/h1,3-4,7H,5-6,13H2.
What are the key properties of 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one?
1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one has a molecular weight of 235.67 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-chloro-4-pyridinyl)-4-ethynylpyrrolidin-2-one is sourced from PubChem (CID 168502470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).