2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide

C16H12N4O5 — CID 6874196

IUPAC2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)o1
InChIInChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)/b17-9+,18-10+
InChIKeyVLIVNEKBOTWJJM-BEQMOXJMSA-N
MW340.30 g/mol
LogP1.99
Rot. Bonds6

About 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide

2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide (PubChem CID 6874196) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide
PubChem CID6874196
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)o1
InChIInChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)/b17-9+,18-10+
InChIKeyVLIVNEKBOTWJJM-BEQMOXJMSA-N
XLogP1.99
TPSA122.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N'~2~,N'~5~-bis[(5-methyl-2-thienyl)methylene]-2,5-furandicarbohydrazide
CID 6874189
N',N'''-Ethanediylidenebis(2-furohydrazide)
CID 6898804
N'-[(5-bromo-2-furyl)methylene]-5-methyl-2-furohydrazide
CID 5335323
N'-(3-furylmethylene)-2-furohydrazide
CID 5411959
N'~2~,N'~5~-bis[1-(2-furyl)ethylidene]-2,5-furandicarbohydrazide
CID 5430472
5-bromo-N'-(2-furylmethylene)-2-furohydrazide
CID 5334529
N-[(Z)-2-methylpropylideneamino]furan-2-carboxamide
CID 6029115
N'-(2-furylmethylene)-2-furohydrazide
CID 6869165
N-[(1E,6E)-7-(2-furylcarbonylamino)-1,7-diazahepta-1,6-dienyl]-2-furylcarboxam ide
CID 9584860
N-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]furan-2-carboxamide
CID 145993801
N'-[(1E)-1-(5-methylfuran-2-yl)ethylidene]furan-2-carbohydrazide
CID 5334069
N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]furan-2-carbohydrazide
CID 6887074

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide (CID 6874196) is 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide is O=C(N/N=C/c1ccco1)c1ccc(C(=O)N/N=C/c2ccco2)o1.
What is the InChIKey of 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide?
The InChIKey is VLIVNEKBOTWJJM-BEQMOXJMSA-N. The full InChI is InChI=1S/C16H12N4O5/c21-15(19-17-9-11-3-1-7-23-11)13-5-6-14(25-13)16(22)20-18-10-12-4-2-8-24-12/h1-10H,(H,19,21)(H,20,22)/b17-9+,18-10+.
What are the key properties of 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide?
2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(E)-furan-2-ylmethylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 6874196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).