N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

C16H17N3O4 — CID 801166

IUPACN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(=O)n(C)c2)ccc1O
InChIInChI=1S/C16H17N3O4/c1-3-23-14-8-11(4-6-13(14)20)9-17-18-16(22)12-5-7-15(21)19(2)10-12/h4-10,20H,3H2,1-2H3,(H,18,22)
InChIKeyHZIUFZCIYFLOAR-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.25
Rot. Bonds5

About N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide

N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 801166) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID801166
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2ccc(=O)n(C)c2)ccc1O
InChIInChI=1S/C16H17N3O4/c1-3-23-14-8-11(4-6-13(14)20)9-17-18-16(22)12-5-7-15(21)19(2)10-12/h4-10,20H,3H2,1-2H3,(H,18,22)
InChIKeyHZIUFZCIYFLOAR-UHFFFAOYSA-N
XLogP1.25
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419
4-bromo-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 1249575
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673769
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135538343
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-fluorobenzamide
CID 135615883
4-ethoxy-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135716598
4-ethoxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 137122802
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 136874336
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-fluorobenzamide
CID 773930
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 3808987

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide (CID 801166) is N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is CCOc1cc(C=NNC(=O)c2ccc(=O)n(C)c2)ccc1O.
What is the InChIKey of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is HZIUFZCIYFLOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-14-8-11(4-6-13(14)20)9-17-18-16(22)12-5-7-15(21)19(2)10-12/h4-10,20H,3H2,1-2H3,(H,18,22).
What are the key properties of N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 801166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).