N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine

C12H18N4O2 — CID 55244163

IUPACN-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
SMILESCCN(c1ccc([N+](=O)[O-])nc1)C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-2-15(10-4-3-7-13-8-10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyGGXUMXKCASQTEB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine

N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine (PubChem CID 55244163) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
PubChem CID55244163
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
SMILESCCN(c1ccc([N+](=O)[O-])nc1)C1CCCNC1
InChIInChI=1S/C12H18N4O2/c1-2-15(10-4-3-7-13-8-10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3
InChIKeyGGXUMXKCASQTEB-UHFFFAOYSA-N
XLogP1.57
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.57
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-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
CID 63638104
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
2-[cyclohexyl-(6-nitro-3-pyridinyl)amino]ethanol
CID 62543247
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
N-ethyl-5-iodo-N-piperidin-3-ylpyrimidin-2-amine
CID 116648595
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine?
The IUPAC name of N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine (CID 55244163) is N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine.
What is the SMILES notation for N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine?
The canonical SMILES for N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine is CCN(c1ccc([N+](=O)[O-])nc1)C1CCCNC1.
What is the InChIKey of N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine?
The InChIKey is GGXUMXKCASQTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-15(10-4-3-7-13-8-10)11-5-6-12(14-9-11)16(17)18/h5-6,9-10,13H,2-4,7-8H2,1H3.
What are the key properties of N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine?
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine is sourced from PubChem (CID 55244163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).