N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

C13H11N3O2 — CID 135400471

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IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccncc1
InChIInChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyVBIZUNYMJSPHBH-OQLLNIDSSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135400471) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135400471
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1ccncc1
InChIInChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+
InChIKeyVBIZUNYMJSPHBH-OQLLNIDSSA-N
XLogP1.55
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
CID 135400486
(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
Flavoteben
CID 135400468
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]pyridine-4-carbohydrazide
CID 135610577
Aconiazide
CID 6433573
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 9571166
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 135400471) is N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccccc1O)c1ccncc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is VBIZUNYMJSPHBH-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-4-2-1-3-11(12)9-15-16-13(18)10-5-7-14-8-6-10/h1-9,17H,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135400471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).