N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

C17H18N4O4 — CID 94846416

IUPACN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-4-3-13(9-15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyZPMRZAUQUSNFNN-JAIQZWGSSA-N
MW342.36 g/mol
LogP0.87
Rot. Bonds6

About N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 94846416) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID94846416
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1OC
InChIInChI=1S/C17H18N4O4/c1-24-14-4-3-13(9-15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyZPMRZAUQUSNFNN-JAIQZWGSSA-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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Related Compounds

N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94833483
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8900870
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-propyloxamide
CID 5363155
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]oxamide
CID 8901056
N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8989104
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)propanediamide
CID 6048916
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-benzyl-N'-[(Z)-[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160542
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 8932041
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 126163320

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (CID 94846416) is N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1OC.
What is the InChIKey of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is ZPMRZAUQUSNFNN-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-14-4-3-13(9-15(14)25-2)11-20-21-17(23)16(22)19-10-12-5-7-18-8-6-12/h3-9,11H,10H2,1-2H3,(H,19,22)(H,21,23)/b20-11-.
What are the key properties of N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-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'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 94846416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).