N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide

C9H10N4O2 — CID 6885445

IUPACN-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
SMILESCNC(=O)C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C9H10N4O2/c1-10-8(14)9(15)13-12-6-7-3-2-4-11-5-7/h2-6H,1H3,(H,10,14)(H,13,15)/b12-6+
InChIKeyAATXTCGSISPPCL-WUXMJOGZSA-N
MW206.21 g/mol
LogP-0.72
Rot. Bonds2

About N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide

N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide (PubChem CID 6885445) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
PubChem CID6885445
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC NameN-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
SMILESCNC(=O)C(=O)N/N=C/c1cccnc1
InChIInChI=1S/C9H10N4O2/c1-10-8(14)9(15)13-12-6-7-3-2-4-11-5-7/h2-6H,1H3,(H,10,14)(H,13,15)/b12-6+
InChIKeyAATXTCGSISPPCL-WUXMJOGZSA-N
XLogP-0.72
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The IUPAC name of N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide (CID 6885445) is N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide.
What is the SMILES notation for N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The canonical SMILES for N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide is CNC(=O)C(=O)N/N=C/c1cccnc1.
What is the InChIKey of N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The InChIKey is AATXTCGSISPPCL-WUXMJOGZSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-8(14)9(15)13-12-6-7-3-2-4-11-5-7/h2-6H,1H3,(H,10,14)(H,13,15)/b12-6+.
What are the key properties of N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide has a molecular weight of 206.21 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide is sourced from PubChem (CID 6885445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).