5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine

C12H17BrN4O2 — CID 63638104

IUPAC5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H17BrN4O2/c1-2-16(10-4-3-5-14-8-10)12-11(17(18)19)6-9(13)7-15-12/h6-7,10,14H,2-5,8H2,1H3
InChIKeyLPJUALAVCPLJHO-UHFFFAOYSA-N
MW329.20 g/mol
LogP2.33
Rot. Bonds4

About 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine

5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine (PubChem CID 63638104) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
PubChem CID63638104
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine
SMILESCCN(c1ncc(Br)cc1[N+](=O)[O-])C1CCCNC1
InChIInChI=1S/C12H17BrN4O2/c1-2-16(10-4-3-5-14-8-10)12-11(17(18)19)6-9(13)7-15-12/h6-7,10,14H,2-5,8H2,1H3
InChIKeyLPJUALAVCPLJHO-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 52.33
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

3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
N-(5-bromo-2-nitrophenyl)-N-ethylpiperidin-3-amine
CID 65343726
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-5-nitro-N-piperidin-3-ylpyrimidin-2-amine
CID 63638105
N-ethyl-3-nitro-N-piperidin-3-ylpyridin-4-amine
CID 63638439
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
5-bromo-N-cyclohexyl-N-methyl-3-nitropyridin-2-amine
CID 61374136
N-ethyl-6-nitro-N-piperidin-3-ylpyridin-3-amine
CID 55244163
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
5-nitro-2-[piperidin-3-yl(propyl)amino]pyridine-3-carbonitrile
CID 63636490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine (CID 63638104) is 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine is CCN(c1ncc(Br)cc1[N+](=O)[O-])C1CCCNC1.
What is the InChIKey of 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine?
The InChIKey is LPJUALAVCPLJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-2-16(10-4-3-5-14-8-10)12-11(17(18)19)6-9(13)7-15-12/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine?
5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine has a molecular weight of 329.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-3-nitro-N-piperidin-3-ylpyridin-2-amine is sourced from PubChem (CID 63638104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).