N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide

C13H11N3O3 — CID 137221904

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=O
InChIInChI=1S/C13H11N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-8,17H,(H,14,18)(H,16,19)/b15-8+
InChIKeyGJLFQWKRTDBWFS-OVCLIPMQSA-N
MW257.25 g/mol
LogP0.84
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 137221904) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID137221904
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=O
InChIInChI=1S/C13H11N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-8,17H,(H,14,18)(H,16,19)/b15-8+
InChIKeyGJLFQWKRTDBWFS-OVCLIPMQSA-N
XLogP0.84
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 135519973
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-oxopiperidine-3-carbohydrazide
CID 135517147
(2E)-N'-[(E)-2-Hydroxybenzylidene]-3-phenylprop-2-enohydrazide
CID 136229843
1-[(3-Hydroxybenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 6899867
2-cyano-N'-(2-hydroxybenzylidene)-3-(2-hydroxyphenyl)acrylohydrazide
CID 135609425
N-[(2-hydroxyphenyl)methylideneamino]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2318995
(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide
CID 172954421
N'-(2,4-dihydroxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458965
2-hydroxy-N-[(E)-(2-hydroxy-5-methyl-phenyl)methyleneamino]pyridine-3-carboxamide
CID 137221937
3-[(2-hydroxybenzylidene)-amino]-1H-pyridin-2-one
CID 136711080

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide (CID 137221904) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccc[nH]c1=O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GJLFQWKRTDBWFS-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-11-6-2-1-4-9(11)8-15-16-13(19)10-5-3-7-14-12(10)18/h1-8,17H,(H,14,18)(H,16,19)/b15-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 137221904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).