4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one

C9H10N4O3 — CID 107143708

IUPAC4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc([N+](=O)[O-])nc2)CN1
InChIInChI=1S/C9H10N4O3/c14-9-3-7(5-11-9)12-6-1-2-8(10-4-6)13(15)16/h1-2,4,7,12H,3,5H2,(H,11,14)
InChIKeyRLQDAWNBTPFMGG-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.29
Rot. Bonds3

About 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one

4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 107143708) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one
PubChem CID107143708
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ccc([N+](=O)[O-])nc2)CN1
InChIInChI=1S/C9H10N4O3/c14-9-3-7(5-11-9)12-6-1-2-8(10-4-6)13(15)16/h1-2,4,7,12H,3,5H2,(H,11,14)
InChIKeyRLQDAWNBTPFMGG-UHFFFAOYSA-N
XLogP0.29
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(6-nitro-3-pyridinyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one (CID 107143708) is 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one is O=C1CC(Nc2ccc([N+](=O)[O-])nc2)CN1.
What is the InChIKey of 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is RLQDAWNBTPFMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c14-9-3-7(5-11-9)12-6-1-2-8(10-4-6)13(15)16/h1-2,4,7,12H,3,5H2,(H,11,14).
What are the key properties of 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one?
4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-nitro-3-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 107143708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).