1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide

C11H14N4O3 — CID 2805612

IUPAC1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O3/c12-10(16)8-3-6-14(7-4-8)11-9(15(17)18)2-1-5-13-11/h1-2,5,8H,3-4,6-7H2,(H2,12,16)
InChIKeyIUCLFDYHPORJNR-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.69
Rot. Bonds3

About 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide

1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 2805612) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID2805612
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H14N4O3/c12-10(16)8-3-6-14(7-4-8)11-9(15(17)18)2-1-5-13-11/h1-2,5,8H,3-4,6-7H2,(H2,12,16)
InChIKeyIUCLFDYHPORJNR-UHFFFAOYSA-N
XLogP0.69
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.69
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'}

Analyze 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide 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 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide (CID 2805612) is 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is IUCLFDYHPORJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-10(16)8-3-6-14(7-4-8)11-9(15(17)18)2-1-5-13-11/h1-2,5,8H,3-4,6-7H2,(H2,12,16).
What are the key properties of 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide?
1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 250.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 2805612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).