N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine

C11H16N4O2 — CID 114695322

IUPACN-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
SMILESCC1NCCCC1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-8-9(4-2-6-12-8)14-10-5-3-7-13-11(10)15(16)17/h3,5,7-9,12,14H,2,4,6H2,1H3
InChIKeyLVLOKICEHHQDOD-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.54
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine

N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine (PubChem CID 114695322) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
PubChem CID114695322
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine
SMILESCC1NCCCC1Nc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O2/c1-8-9(4-2-6-12-8)14-10-5-3-7-13-11(10)15(16)17/h3,5,7-9,12,14H,2,4,6H2,1H3
InChIKeyLVLOKICEHHQDOD-UHFFFAOYSA-N
XLogP1.54
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine (CID 114695322) is N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine is CC1NCCCC1Nc1cccnc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine?
The InChIKey is LVLOKICEHHQDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-9(4-2-6-12-8)14-10-5-3-7-13-11(10)15(16)17/h3,5,7-9,12,14H,2,4,6H2,1H3.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine?
N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine has a molecular weight of 236.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-nitropyridin-3-amine is sourced from PubChem (CID 114695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).