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'}

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Related Compounds

6-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-3-amine
CID 79362326
methyl 4-[(6-nitro-3-pyridinyl)amino]cyclohexane-1-carboxylate
CID 115633971
4-[(6-nitro-1H-benzimidazol-2-yl)amino]pyrrolidin-2-one
CID 107143727
4-[(2-amino-4-pyridinyl)amino]pyrrolidin-2-one
CID 106198193
4-[(6-chloro-5-nitropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106192268
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
N-(dicyclopropylmethyl)-6-nitropyridin-3-amine
CID 62542739
N-cyclopropyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62664493
4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106198856
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
N-(3-ethyl-2-methylcyclopentyl)-6-nitropyridin-3-amine
CID 64923576
2-[cyclopropylmethyl-[3-[(6-nitro-3-pyridinyl)amino]cyclobutyl]amino]acetic acid
CID 122061151

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).