N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

C16H15N5O5 — CID 94833483

IUPACN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O5/c1-26-14-3-2-12(8-13(14)21(24)25)10-19-20-16(23)15(22)18-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,22)(H,20,23)/b19-10-
InChIKeyJYHJLMRGFBIISC-GRSHGNNSSA-N
MW357.33 g/mol
LogP0.76
Rot. Bonds6

About N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide

N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 94833483) has the molecular formula C16H15N5O5 and a molecular weight of 357.33 g/mol. Its IUPAC name is N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID94833483
Molecular FormulaC16H15N5O5
Molecular Weight357.33 g/mol
Exact Mass357.11
IUPAC NameN'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCOc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O5/c1-26-14-3-2-12(8-13(14)21(24)25)10-19-20-16(23)15(22)18-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,22)(H,20,23)/b19-10-
InChIKeyJYHJLMRGFBIISC-GRSHGNNSSA-N
XLogP0.76
TPSA135.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide
CID 94846416
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(4-methylphenyl)methyl]oxamide
CID 135813872
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6172896
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[(4-propan-2-ylphenyl)methyl]oxamide
CID 8900870
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 5132547
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide (CID 94833483) is N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is COc1ccc(/C=N\NC(=O)C(=O)NCc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is JYHJLMRGFBIISC-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H15N5O5/c1-26-14-3-2-12(8-13(14)21(24)25)10-19-20-16(23)15(22)18-9-11-4-6-17-7-5-11/h2-8,10H,9H2,1H3,(H,18,22)(H,20,23)/b19-10-.
What are the key properties of N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 357.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 94833483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).