N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H18N4O2 — CID 66279180

IUPACN-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cnc(NC2CC3CCC(C2)N3)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O2/c1-8-4-12(17(18)19)13(14-7-8)16-11-5-9-2-3-10(6-11)15-9/h4,7,9-11,15H,2-3,5-6H2,1H3,(H,14,16)
InChIKeySZPMZOPDTVRNBR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.99
Rot. Bonds3

About N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine

N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66279180) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66279180
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1cnc(NC2CC3CCC(C2)N3)c([N+](=O)[O-])c1
InChIInChI=1S/C13H18N4O2/c1-8-4-12(17(18)19)13(14-7-8)16-11-5-9-2-3-10(6-11)15-9/h4,7,9-11,15H,2-3,5-6H2,1H3,(H,14,16)
InChIKeySZPMZOPDTVRNBR-UHFFFAOYSA-N
XLogP1.99
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.99
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

N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-(3,3-dimethylcyclopentyl)-5-methyl-3-nitropyridin-2-amine
CID 115880998
N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 104695809
5-methyl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridin-2-amine
CID 66280270
N-(2-cyclopropyloxolan-3-yl)-5-methyl-3-nitropyridin-2-amine
CID 103863939
N-(1-cyclopentylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66278957
N-(1-cyclopropylethyl)-5-methyl-3-nitropyridin-2-amine
CID 66280695
N-(1-cyclopropylpropan-2-yl)-5-methyl-3-nitropyridin-2-amine
CID 66278519
N-(3-methoxy-2,2-dimethylcyclobutyl)-5-methyl-3-nitropyridin-2-amine
CID 103742736
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
5-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 66279180) is N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1cnc(NC2CC3CCC(C2)N3)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SZPMZOPDTVRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-4-12(17(18)19)13(14-7-8)16-11-5-9-2-3-10(6-11)15-9/h4,7,9-11,15H,2-3,5-6H2,1H3,(H,14,16).
What are the key properties of N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 262.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66279180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).