3-nitro-N-piperidin-4-ylpyridin-4-amine

C10H14N4O2 — CID 43167668

IUPAC3-nitro-N-piperidin-4-ylpyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NC1CCNCC1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-7-12-6-3-9(10)13-8-1-4-11-5-2-8/h3,6-8,11H,1-2,4-5H2,(H,12,13)
InChIKeyMTNZBTUXWLTUPT-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.15
Rot. Bonds3

About 3-nitro-N-piperidin-4-ylpyridin-4-amine

3-nitro-N-piperidin-4-ylpyridin-4-amine (PubChem CID 43167668) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-nitro-N-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name3-nitro-N-piperidin-4-ylpyridin-4-amine
PubChem CID43167668
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-nitro-N-piperidin-4-ylpyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NC1CCNCC1
InChIInChI=1S/C10H14N4O2/c15-14(16)10-7-12-6-3-9(10)13-8-1-4-11-5-2-8/h3,6-8,11H,1-2,4-5H2,(H,12,13)
InChIKeyMTNZBTUXWLTUPT-UHFFFAOYSA-N
XLogP1.15
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-piperidin-4-ylpyridin-4-amine?
The IUPAC name of 3-nitro-N-piperidin-4-ylpyridin-4-amine (CID 43167668) is 3-nitro-N-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for 3-nitro-N-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for 3-nitro-N-piperidin-4-ylpyridin-4-amine is O=[N+]([O-])c1cnccc1NC1CCNCC1.
What is the InChIKey of 3-nitro-N-piperidin-4-ylpyridin-4-amine?
The InChIKey is MTNZBTUXWLTUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-14(16)10-7-12-6-3-9(10)13-8-1-4-11-5-2-8/h3,6-8,11H,1-2,4-5H2,(H,12,13).
What are the key properties of 3-nitro-N-piperidin-4-ylpyridin-4-amine?
3-nitro-N-piperidin-4-ylpyridin-4-amine has a molecular weight of 222.25 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 43167668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).