3-nitro-2-piperidin-4-ylpyridin-4-amine

C10H14N4O2 — CID 19034930

IUPAC3-nitro-2-piperidin-4-ylpyridin-4-amine
SMILESNc1ccnc(C2CCNCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-8-3-6-13-9(10(8)14(15)16)7-1-4-12-5-2-7/h3,6-7,12H,1-2,4-5H2,(H2,11,13)
InChIKeyKOXCSOGSNGGNFL-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.04
Rot. Bonds2

About 3-nitro-2-piperidin-4-ylpyridin-4-amine

3-nitro-2-piperidin-4-ylpyridin-4-amine (PubChem CID 19034930) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-nitro-2-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name3-nitro-2-piperidin-4-ylpyridin-4-amine
PubChem CID19034930
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-nitro-2-piperidin-4-ylpyridin-4-amine
SMILESNc1ccnc(C2CCNCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O2/c11-8-3-6-13-9(10(8)14(15)16)7-1-4-12-5-2-7/h3,6-7,12H,1-2,4-5H2,(H2,11,13)
InChIKeyKOXCSOGSNGGNFL-UHFFFAOYSA-N
XLogP1.04
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.04
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'}

Analyze 3-nitro-2-piperidin-4-ylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-piperidin-4-ylpyridin-4-amine?
The IUPAC name of 3-nitro-2-piperidin-4-ylpyridin-4-amine (CID 19034930) is 3-nitro-2-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for 3-nitro-2-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for 3-nitro-2-piperidin-4-ylpyridin-4-amine is Nc1ccnc(C2CCNCC2)c1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-piperidin-4-ylpyridin-4-amine?
The InChIKey is KOXCSOGSNGGNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8-3-6-13-9(10(8)14(15)16)7-1-4-12-5-2-7/h3,6-7,12H,1-2,4-5H2,(H2,11,13).
What are the key properties of 3-nitro-2-piperidin-4-ylpyridin-4-amine?
3-nitro-2-piperidin-4-ylpyridin-4-amine has a molecular weight of 222.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 19034930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).