N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C14H20N4O2 — CID 78951023

IUPACN-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCN2CCCC2C1
InChIInChI=1S/C14H20N4O2/c1-10-7-13(18(19)20)9-15-14(10)16-11-4-6-17-5-2-3-12(17)8-11/h7,9,11-12H,2-6,8H2,1H3,(H,15,16)
InChIKeyXLTXXQPPXABYJT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.34
Rot. Bonds3

About N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 78951023) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID78951023
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCN2CCCC2C1
InChIInChI=1S/C14H20N4O2/c1-10-7-13(18(19)20)9-15-14(10)16-11-4-6-17-5-2-3-12(17)8-11/h7,9,11-12H,2-6,8H2,1H3,(H,15,16)
InChIKeyXLTXXQPPXABYJT-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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 N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 78951023) is N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is Cc1cc([N+](=O)[O-])cnc1NC1CCN2CCCC2C1.
What is the InChIKey of N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is XLTXXQPPXABYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-7-13(18(19)20)9-15-14(10)16-11-4-6-17-5-2-3-12(17)8-11/h7,9,11-12H,2-6,8H2,1H3,(H,15,16).
What are the key properties of N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 276.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 78951023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).