N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C16H17N3O4 — CID 135702556

IUPACN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)Cn2ccccc2=O)c1
InChIInChI=1S/C16H17N3O4/c1-11(13-9-12(23-2)6-7-14(13)20)17-18-15(21)10-19-8-4-3-5-16(19)22/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-11+
InChIKeyIFMGKLHBUQYBSZ-GZTJUZNOSA-N
MW315.33 g/mol
LogP1.10
Rot. Bonds5

About N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 135702556) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID135702556
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)Cn2ccccc2=O)c1
InChIInChI=1S/C16H17N3O4/c1-11(13-9-12(23-2)6-7-14(13)20)17-18-15(21)10-19-8-4-3-5-16(19)22/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-11+
InChIKeyIFMGKLHBUQYBSZ-GZTJUZNOSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-1-(2,4-difluorophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8884138
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882847
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-thiophen-2-ylacetamide
CID 135680368
2-(2-oxo-1-pyridinyl)-N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]acetamide
CID 8884023
2-chloro-N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 135824437
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883957
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 135575852
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(Z)-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883708
N-[(Z)-1-(5-chlorothiophen-2-yl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883245
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 135702556) is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is COc1ccc(O)c(/C(C)=N/NC(=O)Cn2ccccc2=O)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is IFMGKLHBUQYBSZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11(13-9-12(23-2)6-7-14(13)20)17-18-15(21)10-19-8-4-3-5-16(19)22/h3-9,20H,10H2,1-2H3,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 135702556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).