1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

C14H21N5O2 — CID 80553412

IUPAC1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c15-11-3-6-17(7-4-11)13-5-8-18(10-13)14-2-1-12(9-16-14)19(20)21/h1-2,9,11,13H,3-8,10,15H2
InChIKeyXYBHVINWWMHKOY-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.99
Rot. Bonds3

About 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553412) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553412
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1
InChIInChI=1S/C14H21N5O2/c15-11-3-6-17(7-4-11)13-5-8-18(10-13)14-2-1-12(9-16-14)19(20)21/h1-2,9,11,13H,3-8,10,15H2
InChIKeyXYBHVINWWMHKOY-UHFFFAOYSA-N
XLogP0.99
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896
[1-(5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 2859766
1-(5-nitro-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663272
(3R)-1-(5-nitro-2-pyridinyl)piperidine-3-carboxamide
CID 30994170
N,N-dimethyl-2-[1-(5-nitro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 59598057
2-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-5-nitropyridine
CID 133341964
6-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 80553434
2-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-5-nitropyridine
CID 171780126
methyl (3R,4S)-3-methyl-1-(5-nitro-2-pyridinyl)piperidine-4-carboxylate
CID 125138651
1-(4-nitrophenyl)piperidin-4-amine
CID 12050747
2-amino-4-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136554465

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553412) is 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3ccc([N+](=O)[O-])cn3)C2)CC1.
What is the InChIKey of 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is XYBHVINWWMHKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-11-3-6-17(7-4-11)13-5-8-18(10-13)14-2-1-12(9-16-14)19(20)21/h1-2,9,11,13H,3-8,10,15H2.
What are the key properties of 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 291.35 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).