5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

C14H20N4O2 — CID 83259903

IUPAC5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESCc1cnc(N2CCCC2C2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O2/c1-10-9-16-14(8-13(10)18(19)20)17-7-3-5-12(17)11-4-2-6-15-11/h8-9,11-12,15H,2-7H2,1H3
InChIKeyDUILICXRFDKEQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.02
Rot. Bonds3

About 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine

5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (PubChem CID 83259903) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
PubChem CID83259903
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
SMILESCc1cnc(N2CCCC2C2CCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N4O2/c1-10-9-16-14(8-13(10)18(19)20)17-7-3-5-12(17)11-4-2-6-15-11/h8-9,11-12,15H,2-7H2,1H3
InChIKeyDUILICXRFDKEQW-UHFFFAOYSA-N
XLogP2.02
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine (CID 83259903) is 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is Cc1cnc(N2CCCC2C2CCCN2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
The InChIKey is DUILICXRFDKEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-9-16-14(8-13(10)18(19)20)17-7-3-5-12(17)11-4-2-6-15-11/h8-9,11-12,15H,2-7H2,1H3.
What are the key properties of 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine?
5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine has a molecular weight of 276.34 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 83259903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).