6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine

C11H16N4O2 — CID 81333831

IUPAC6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NN2CCCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-9-5-6-10(15(16)17)11(12-9)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,12,13)
InChIKeyWFIOJBNXDDXRBT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.11
Rot. Bonds3

About 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine

6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine (PubChem CID 81333831) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
PubChem CID81333831
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NN2CCCCC2)n1
InChIInChI=1S/C11H16N4O2/c1-9-5-6-10(15(16)17)11(12-9)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,12,13)
InChIKeyWFIOJBNXDDXRBT-UHFFFAOYSA-N
XLogP2.11
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.11
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'}

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Related Compounds

N-(2,6-dimethylpiperidin-1-yl)-6-methyl-3-nitropyridin-2-amine
CID 83026617
6-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 81138782
N-methyl-2-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136054
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
3-methyl-5-nitro-N-piperidin-1-ylpyridin-2-amine
CID 83025553
1-N-(6-methyl-3-nitro-2-pyridinyl)cyclobutane-1,3-diamine
CID 81135844
2-N-(4-methylpiperazin-1-yl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 83034182
N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
N-(2-ethyl-2-methylsulfanylbutyl)-6-methyl-3-nitropyridin-2-amine
CID 103780075
N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-3-nitropyridin-2-amine
CID 104695781
N-(2,3-difluoro-6-nitrophenyl)piperidin-1-amine
CID 83026698

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine?
The IUPAC name of 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine (CID 81333831) is 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NN2CCCCC2)n1.
What is the InChIKey of 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine?
The InChIKey is WFIOJBNXDDXRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-9-5-6-10(15(16)17)11(12-9)13-14-7-3-2-4-8-14/h5-6H,2-4,7-8H2,1H3,(H,12,13).
What are the key properties of 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine?
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine is sourced from PubChem (CID 81333831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).