N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

C17H18N4O4 — CID 5334728

IUPACN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-7-3-6-13(15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-4-8-18-9-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11+
InChIKeyWGNPZHUPZGUQQD-RGVLZGJSSA-N
MW342.36 g/mol
LogP0.87
Rot. Bonds6

About N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 5334728) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID5334728
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-7-3-6-13(15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-4-8-18-9-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11+
InChIKeyWGNPZHUPZGUQQD-RGVLZGJSSA-N
XLogP0.87
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (CID 5334728) is N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is COc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1OC.
What is the InChIKey of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is WGNPZHUPZGUQQD-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-14-7-3-6-13(15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-4-8-18-9-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11+.
What are the key properties of N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 342.36 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 5334728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).