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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Related Compounds

N-(2-ethylcyclohexyl)-2-nitropyridin-3-amine
CID 113224726
2-methyl-N-(3-methyl-2-nitrophenyl)piperidin-3-amine
CID 114041911
N-(3,5-dimethylcyclohexyl)-2-nitropyridin-3-amine
CID 112692570
N-(2-nitro-3-pyridinyl)azepan-3-amine
CID 113424918
2-methyl-N-(2-nitro-3-propan-2-yloxyphenyl)piperidin-3-amine
CID 114695421
2-nitro-N-(2-phenylcyclopropyl)pyridin-3-amine
CID 115593125
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
N-methyl-2-nitropyridin-3-amine
CID 555983
N-(2-methylpiperidin-3-yl)-6-nitroquinazolin-4-amine
CID 114695488
6-methoxy-N-(2-methylpiperidin-3-yl)-3-nitropyridin-2-amine
CID 114695495

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).