N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine

C11H16N4O2 — CID 106996198

IUPACN-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
SMILESCC1CC(Nc2cc([N+](=O)[O-])ccn2)CCN1
InChIInChI=1S/C11H16N4O2/c1-8-6-9(2-4-12-8)14-11-7-10(15(16)17)3-5-13-11/h3,5,7-9,12H,2,4,6H2,1H3,(H,13,14)
InChIKeyQYYQZHIOIUZWQK-UHFFFAOYSA-N
MW236.28 g/mol
LogP1.54
Rot. Bonds3

About N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine

N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine (PubChem CID 106996198) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
PubChem CID106996198
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
SMILESCC1CC(Nc2cc([N+](=O)[O-])ccn2)CCN1
InChIInChI=1S/C11H16N4O2/c1-8-6-9(2-4-12-8)14-11-7-10(15(16)17)3-5-13-11/h3,5,7-9,12H,2,4,6H2,1H3,(H,13,14)
InChIKeyQYYQZHIOIUZWQK-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 ≤ 500236.28
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

3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536
N-(2-methylpiperidin-4-yl)-6-nitroquinazolin-4-amine
CID 106996165
4-nitro-N-(oxan-3-yl)pyridin-2-amine
CID 63363722
2-[(2-methylpiperidin-4-yl)amino]-5-nitrobenzamide
CID 106996191
N-(2-methylpiperidin-4-yl)pyrazin-2-amine
CID 106995922
N-[(3-methylcyclopentyl)methyl]-4-nitropyridin-2-amine
CID 107413743
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
CID 106996155
N-[(4-methylcyclohexyl)methyl]-4-nitropyridin-2-amine
CID 55175056
N-(2-methylpiperidin-4-yl)-1-(3-nitrophenyl)pyrazole-3-carboxamide;hydrochloride
CID 120599281
N-(2-methylpiperidin-4-yl)-6-methylsulfanylpyrimidin-4-amine
CID 106996340
2-methoxy-N-(2-methylpiperidin-4-yl)pyridin-4-amine
CID 106996332
6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
CID 114071424

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine (CID 106996198) is N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine is CC1CC(Nc2cc([N+](=O)[O-])ccn2)CCN1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine?
The InChIKey is QYYQZHIOIUZWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-6-9(2-4-12-8)14-11-7-10(15(16)17)3-5-13-11/h3,5,7-9,12H,2,4,6H2,1H3,(H,13,14).
What are the key properties of N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine?
N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine has a molecular weight of 236.28 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-4-yl)-4-nitropyridin-2-amine is sourced from PubChem (CID 106996198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).