(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one

C16H15FN4O3 — CID 95624732

IUPAC(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN4O3/c1-19(15-7-6-11(10-18-15)21(23)24)14-8-9-20(16(14)22)13-5-3-2-4-12(13)17/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyXBQIWCPBDXMQRC-AWEZNQCLSA-N
MW330.32 g/mol
LogP2.37
Rot. Bonds4

About (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one

(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 95624732) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID95624732
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C16H15FN4O3/c1-19(15-7-6-11(10-18-15)21(23)24)14-8-9-20(16(14)22)13-5-3-2-4-12(13)17/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1
InChIKeyXBQIWCPBDXMQRC-AWEZNQCLSA-N
XLogP2.37
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
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 (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-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 (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one (CID 95624732) is (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one is CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is XBQIWCPBDXMQRC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-19(15-7-6-11(10-18-15)21(23)24)14-8-9-20(16(14)22)13-5-3-2-4-12(13)17/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
(3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 330.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-fluorophenyl)-3-[methyl-(5-nitro-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 95624732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).