5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide

C24H18N6O3 — CID 135782076

IUPAC5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)o1
InChIInChI=1S/C24H18N6O3/c31-23(29-27-13-15-11-25-19-7-3-1-5-17(15)19)21-9-10-22(33-21)24(32)30-28-14-16-12-26-20-8-4-2-6-18(16)20/h1-14,25-26H,(H,29,31)(H,30,32)/b27-13-,28-14+
InChIKeyGVUZNXLFKGWOQW-DYCUMYEBSA-N
MW438.45 g/mol
LogP3.77
Rot. Bonds6

About 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide

5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide (PubChem CID 135782076) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
PubChem CID135782076
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
SMILESO=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)o1
InChIInChI=1S/C24H18N6O3/c31-23(29-27-13-15-11-25-19-7-3-1-5-17(15)19)21-9-10-22(33-21)24(32)30-28-14-16-12-26-20-8-4-2-6-18(16)20/h1-14,25-26H,(H,29,31)(H,30,32)/b27-13-,28-14+
InChIKeyGVUZNXLFKGWOQW-DYCUMYEBSA-N
XLogP3.77
TPSA127.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
CID 135446585
5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648367
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648369

Frequently Asked Questions

What is the IUPAC name of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide?
The IUPAC name of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide (CID 135782076) is 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide is O=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)o1.
What is the InChIKey of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide?
The InChIKey is GVUZNXLFKGWOQW-DYCUMYEBSA-N. The full InChI is InChI=1S/C24H18N6O3/c31-23(29-27-13-15-11-25-19-7-3-1-5-17(15)19)21-9-10-22(33-21)24(32)30-28-14-16-12-26-20-8-4-2-6-18(16)20/h1-14,25-26H,(H,29,31)(H,30,32)/b27-13-,28-14+.
What are the key properties of 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide?
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide is sourced from PubChem (CID 135782076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).