N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide

C20H16N6O2 — CID 135810504

IUPACN-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C20H16N6O2/c27-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)20(28)26-24-12-14-10-22-18-8-4-2-6-16(14)18/h1-12,21-22H,(H,25,27)(H,26,28)/b23-11+,24-12?
InChIKeyYIUOXRQTPHLNIL-NWXYGCMASA-N
MW372.39 g/mol
LogP2.25
Rot. Bonds4

About N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide

N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide (PubChem CID 135810504) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
PubChem CID135810504
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C20H16N6O2/c27-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)20(28)26-24-12-14-10-22-18-8-4-2-6-16(14)18/h1-12,21-22H,(H,25,27)(H,26,28)/b23-11+,24-12?
InChIKeyYIUOXRQTPHLNIL-NWXYGCMASA-N
XLogP2.25
TPSA114.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide (CID 135810504) is N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide is O=C(NN=Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The InChIKey is YIUOXRQTPHLNIL-NWXYGCMASA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)20(28)26-24-12-14-10-22-18-8-4-2-6-16(14)18/h1-12,21-22H,(H,25,27)(H,26,28)/b23-11+,24-12?.
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide has a molecular weight of 372.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide is sourced from PubChem (CID 135810504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).