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

C15H22N4O2 — CID 61232892

IUPACN-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2
InChIInChI=1S/C15H22N4O2/c1-2-8-18(13-9-11-5-6-12(10-13)17-11)15-14(19(20)21)4-3-7-16-15/h3-4,7,11-13,17H,2,5-6,8-10H2,1H3
InChIKeyKKGHWSFZTUMOBS-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.49
Rot. Bonds5

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

N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61232892) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61232892
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2
InChIInChI=1S/C15H22N4O2/c1-2-8-18(13-9-11-5-6-12(10-13)17-11)15-14(19(20)21)4-3-7-16-15/h3-4,7,11-13,17H,2,5-6,8-10H2,1H3
InChIKeyKKGHWSFZTUMOBS-UHFFFAOYSA-N
XLogP2.49
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.49
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'}

Analyze N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-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-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232521
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]pyridine-3-carboxamide
CID 61232537
N-propyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232894
2-[cyclopentyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 54998817
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-(4-methylpyrimidin-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55153997
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
4-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136977712
N-[(2-chloro-3-pyridinyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62470924

Frequently Asked Questions

What is the IUPAC name of N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61232892) is N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(c1ncccc1[N+](=O)[O-])C1CC2CCC(C1)N2.
What is the InChIKey of N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KKGHWSFZTUMOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-8-18(13-9-11-5-6-12(10-13)17-11)15-14(19(20)21)4-3-7-16-15/h3-4,7,11-13,17H,2,5-6,8-10H2,1H3.
What are the key properties of N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitro-2-pyridinyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61232892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).