3-nitro-2,6-dipyrrolidin-1-ylpyridine

C13H18N4O2 — CID 2741354

IUPAC3-nitro-2,6-dipyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1ccc(N2CCCC2)nc1N1CCCC1
InChIInChI=1S/C13H18N4O2/c18-17(19)11-5-6-12(15-7-1-2-8-15)14-13(11)16-9-3-4-10-16/h5-6H,1-4,7-10H2
InChIKeyUHDIXMBUVAUCOU-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.19
Rot. Bonds3

About 3-nitro-2,6-dipyrrolidin-1-ylpyridine

3-nitro-2,6-dipyrrolidin-1-ylpyridine (PubChem CID 2741354) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-nitro-2,6-dipyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name3-nitro-2,6-dipyrrolidin-1-ylpyridine
PubChem CID2741354
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-nitro-2,6-dipyrrolidin-1-ylpyridine
SMILESO=[N+]([O-])c1ccc(N2CCCC2)nc1N1CCCC1
InChIInChI=1S/C13H18N4O2/c18-17(19)11-5-6-12(15-7-1-2-8-15)14-13(11)16-9-3-4-10-16/h5-6H,1-4,7-10H2
InChIKeyUHDIXMBUVAUCOU-UHFFFAOYSA-N
XLogP2.19
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.19
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 3-nitro-2,6-dipyrrolidin-1-ylpyridine 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 3-nitro-2,6-dipyrrolidin-1-ylpyridine?
The IUPAC name of 3-nitro-2,6-dipyrrolidin-1-ylpyridine (CID 2741354) is 3-nitro-2,6-dipyrrolidin-1-ylpyridine.
What is the SMILES notation for 3-nitro-2,6-dipyrrolidin-1-ylpyridine?
The canonical SMILES for 3-nitro-2,6-dipyrrolidin-1-ylpyridine is O=[N+]([O-])c1ccc(N2CCCC2)nc1N1CCCC1.
What is the InChIKey of 3-nitro-2,6-dipyrrolidin-1-ylpyridine?
The InChIKey is UHDIXMBUVAUCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-17(19)11-5-6-12(15-7-1-2-8-15)14-13(11)16-9-3-4-10-16/h5-6H,1-4,7-10H2.
What are the key properties of 3-nitro-2,6-dipyrrolidin-1-ylpyridine?
3-nitro-2,6-dipyrrolidin-1-ylpyridine has a molecular weight of 262.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2,6-dipyrrolidin-1-ylpyridine is sourced from PubChem (CID 2741354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).