N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

C18H18N4O3 — CID 5340243

IUPACN'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESC=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H18N4O3/c1-2-9-25-16-7-3-5-14(10-16)13-21-22-18(24)17(23)20-12-15-6-4-8-19-11-15/h2-8,10-11,13H,1,9,12H2,(H,20,23)(H,22,24)/b21-13+
InChIKeyZQHZUZSGJYFWNJ-FYJGNVAPSA-N
MW338.37 g/mol
LogP1.41
Rot. Bonds7

About N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 5340243) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID5340243
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESC=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1
InChIInChI=1S/C18H18N4O3/c1-2-9-25-16-7-3-5-14(10-16)13-21-22-18(24)17(23)20-12-15-6-4-8-19-11-15/h2-8,10-11,13H,1,9,12H2,(H,20,23)(H,22,24)/b21-13+
InChIKeyZQHZUZSGJYFWNJ-FYJGNVAPSA-N
XLogP1.41
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 6175149
N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 3102319
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
CID 8990324
4-[[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3387447
N-(4-chlorophenyl)-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6002264
N-(4-bromophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4600648
N-(4-chlorophenyl)-N'-[(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 4068824
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(4-prop-2-enoxyphenyl)oxamide
CID 8932304
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
N-[(4-chlorophenyl)methyl]-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989345
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6876861

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (CID 5340243) is N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2cccnc2)c1.
What is the InChIKey of N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is ZQHZUZSGJYFWNJ-FYJGNVAPSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-9-25-16-7-3-5-14(10-16)13-21-22-18(24)17(23)20-12-15-6-4-8-19-11-15/h2-8,10-11,13H,1,9,12H2,(H,20,23)(H,22,24)/b21-13+.
What are the key properties of N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 338.37 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 5340243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).