N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine

C13H18N4O2 — CID 43599429

IUPACN-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H18N4O2/c18-17(19)11-3-1-7-14-12(11)16-10-4-8-15-13(9-10)5-2-6-13/h1,3,7,10,15H,2,4-6,8-9H2,(H,14,16)
InChIKeyNRFNSSBMNQKHED-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.08
Rot. Bonds3

About N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine

N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine (PubChem CID 43599429) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
PubChem CID43599429
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine
SMILESO=[N+]([O-])c1cccnc1NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H18N4O2/c18-17(19)11-3-1-7-14-12(11)16-10-4-8-15-13(9-10)5-2-6-13/h1,3,7,10,15H,2,4-6,8-9H2,(H,14,16)
InChIKeyNRFNSSBMNQKHED-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
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'}

Analyze N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
3-(5-azaspiro[3.5]nonan-8-ylamino)-4-nitrobenzonitrile
CID 104713856
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylpyrazin-2-one
CID 62940976
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
N-pyridazin-3-yl-5-azaspiro[3.5]nonan-8-amine
CID 62483877
N-(5-azaspiro[3.5]nonan-8-yl)thieno[3,2-c]pyridin-4-amine
CID 43599441
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
3-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridin-2-amine
CID 79363256
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine (CID 43599429) is N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine is O=[N+]([O-])c1cccnc1NC1CCNC2(CCC2)C1.
What is the InChIKey of N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine?
The InChIKey is NRFNSSBMNQKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-17(19)11-3-1-7-14-12(11)16-10-4-8-15-13(9-10)5-2-6-13/h1,3,7,10,15H,2,4-6,8-9H2,(H,14,16).
What are the key properties of N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine?
N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine has a molecular weight of 262.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-2-pyridinyl)-5-azaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 43599429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).