N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide

C11H9N3O2 — CID 5337548

IUPACN-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccco1
InChIInChI=1S/C11H9N3O2/c15-11(10-4-2-6-16-10)14-13-8-9-3-1-5-12-7-9/h1-8H,(H,14,15)/b13-8+
InChIKeyHLTSONUEBAFXNJ-MDWZMJQESA-N
MW215.21 g/mol
LogP1.44
Rot. Bonds3

About N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide

N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide (PubChem CID 5337548) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
PubChem CID5337548
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1ccco1
InChIInChI=1S/C11H9N3O2/c15-11(10-4-2-6-16-10)14-13-8-9-3-1-5-12-7-9/h1-8H,(H,14,15)/b13-8+
InChIKeyHLTSONUEBAFXNJ-MDWZMJQESA-N
XLogP1.44
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide (CID 5337548) is N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide is O=C(N/N=C/c1cccnc1)c1ccco1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
The InChIKey is HLTSONUEBAFXNJ-MDWZMJQESA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(10-4-2-6-16-10)14-13-8-9-3-1-5-12-7-9/h1-8H,(H,14,15)/b13-8+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide?
N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide is sourced from PubChem (CID 5337548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).