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

C12H12N4O2 — CID 135814043

IUPACN'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N4O2/c1-13-11(17)12(18)16-15-7-8-6-14-10-5-3-2-4-9(8)10/h2-7,14H,1H3,(H,13,17)(H,16,18)/b15-7+
InChIKeyGALVONCLBCSPDQ-VIZOYTHASA-N
MW244.25 g/mol
LogP0.36
Rot. Bonds2

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

N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide (PubChem CID 135814043) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide.

Molecular Properties

Compound NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
PubChem CID135814043
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
SMILESCNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C12H12N4O2/c1-13-11(17)12(18)16-15-7-8-6-14-10-5-3-2-4-9(8)10/h2-7,14H,1H3,(H,13,17)(H,16,18)/b15-7+
InChIKeyGALVONCLBCSPDQ-VIZOYTHASA-N
XLogP0.36
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide?
The IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide (CID 135814043) is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide.
What is the SMILES notation for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide?
The canonical SMILES for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide is CNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide?
The InChIKey is GALVONCLBCSPDQ-VIZOYTHASA-N. The full InChI is InChI=1S/C12H12N4O2/c1-13-11(17)12(18)16-15-7-8-6-14-10-5-3-2-4-9(8)10/h2-7,14H,1H3,(H,13,17)(H,16,18)/b15-7+.
What are the key properties of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide?
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide has a molecular weight of 244.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide is sourced from PubChem (CID 135814043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).