N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide

C11H8N4O4 — CID 5469569

IUPACN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccncc1
InChIInChI=1S/C11H8N4O4/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+
InChIKeyVUUFBVKBJGFAJS-NTUHNPAUSA-N
MW260.21 g/mol
LogP1.35
Rot. Bonds4

About N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 5469569) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID5469569
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccncc1
InChIInChI=1S/C11H8N4O4/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+
InChIKeyVUUFBVKBJGFAJS-NTUHNPAUSA-N
XLogP1.35
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-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 N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide (CID 5469569) is N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccncc1.
What is the InChIKey of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is VUUFBVKBJGFAJS-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-11(8-3-5-12-6-4-8)14-13-7-9-1-2-10(19-9)15(17)18/h1-7H,(H,14,16)/b13-7+.
What are the key properties of N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5469569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).