[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid

C10H12BN3O4 — CID 168698570

IUPAC[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
SMILESNC(=O)C1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C10H12BN3O4/c12-10(16)6-3-9(15)14(5-6)8-2-1-7(4-13-8)11(17)18/h1-2,4,6,17-18H,3,5H2,(H2,12,16)
InChIKeyDSAJEWLNJZLZAG-UHFFFAOYSA-N
MW249.03 g/mol
LogP-2.40
Rot. Bonds3

About [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid

[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid (PubChem CID 168698570) has the molecular formula C10H12BN3O4 and a molecular weight of 249.03 g/mol. Its IUPAC name is [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
PubChem CID168698570
Molecular FormulaC10H12BN3O4
Molecular Weight249.03 g/mol
Exact Mass249.09
IUPAC Name[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
SMILESNC(=O)C1CC(=O)N(c2ccc(B(O)O)cn2)C1
InChIInChI=1S/C10H12BN3O4/c12-10(16)6-3-9(15)14(5-6)8-2-1-7(4-13-8)11(17)18/h1-2,4,6,17-18H,3,5H2,(H2,12,16)
InChIKeyDSAJEWLNJZLZAG-UHFFFAOYSA-N
XLogP-2.40
TPSA116.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.03
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid 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-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697887
[6-(4-ethenyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid
CID 168686660
[6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-3-pyridinyl]boronic acid
CID 168683338
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
5-bromo-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 168698074
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
1-(6-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698237
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041
5-oxo-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 168698366
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807

Frequently Asked Questions

What is the IUPAC name of [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid (CID 168698570) is [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid is NC(=O)C1CC(=O)N(c2ccc(B(O)O)cn2)C1.
What is the InChIKey of [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
The InChIKey is DSAJEWLNJZLZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN3O4/c12-10(16)6-3-9(15)14(5-6)8-2-1-7(4-13-8)11(17)18/h1-2,4,6,17-18H,3,5H2,(H2,12,16).
What are the key properties of [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid?
[6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid has a molecular weight of 249.03 g/mol, XLogP of -2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 168698570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).