5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C11H9N3O4 — CID 779673

IUPAC5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c15-11(9-4-5-10(18-9)14(16)17)13-7-8-3-1-2-6-12-8/h1-6H,7H2,(H,13,15)
InChIKeyRRUCAAUZCDYXHK-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.51
Rot. Bonds4

About 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide

5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 779673) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID779673
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H9N3O4/c15-11(9-4-5-10(18-9)14(16)17)13-7-8-3-1-2-6-12-8/h1-6H,7H2,(H,13,15)
InChIKeyRRUCAAUZCDYXHK-UHFFFAOYSA-N
XLogP1.51
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.51
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 5-nitro-N-(pyridin-2-ylmethyl)furan-2-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 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 779673) is 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide is O=C(NCc1ccccn1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is RRUCAAUZCDYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-11(9-4-5-10(18-9)14(16)17)13-7-8-3-1-2-6-12-8/h1-6H,7H2,(H,13,15).
What are the key properties of 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 779673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).