6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine

C11H16N4O2 — CID 80763904

IUPAC6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
SMILESCC1CCCN(c2nc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O2/c1-8-3-2-6-14(7-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13)
InChIKeyAFZVLCXZKGRCHL-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.81
Rot. Bonds2

About 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine

6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine (PubChem CID 80763904) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
PubChem CID80763904
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine
SMILESCC1CCCN(c2nc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H16N4O2/c1-8-3-2-6-14(7-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13)
InChIKeyAFZVLCXZKGRCHL-UHFFFAOYSA-N
XLogP1.81
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.81
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

4-(3-methylpiperidin-1-yl)-5-nitropyrimidin-2-amine
CID 114044083
6-(2-methylmorpholin-4-yl)-5-nitropyridin-2-amine
CID 80764724
6-(3-ethyl-4-methylpiperazin-1-yl)-5-nitropyridin-2-amine
CID 80834838
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-nitropyridin-2-amine
CID 80775290
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
6-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-nitropyridin-2-amine
CID 80836642
1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697
6-(3,3-diethylpyrrolidin-1-yl)-5-nitropyridin-2-amine
CID 80855316
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
1-(6-hydrazinyl-3-nitro-2-pyridinyl)piperidin-3-ol
CID 80906785
6-(3-methylpiperidin-1-yl)-5-nitropyridine-3-carboxylic acid
CID 81438369

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine?
The IUPAC name of 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine (CID 80763904) is 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine is CC1CCCN(c2nc(N)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine?
The InChIKey is AFZVLCXZKGRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-3-2-6-14(7-8)11-9(15(16)17)4-5-10(12)13-11/h4-5,8H,2-3,6-7H2,1H3,(H2,12,13).
What are the key properties of 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine?
6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine has a molecular weight of 236.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpiperidin-1-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 80763904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).