N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

C13H11N3O2 — CID 135483803

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-12-5-3-10(4-6-12)8-15-16-13(18)11-2-1-7-14-9-11/h1-9,17H,(H,16,18)/b15-8+
InChIKeyILQGNUZMHMAUIR-OVCLIPMQSA-N
MW241.25 g/mol
LogP1.55
Rot. Bonds3

About N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135483803) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135483803
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C13H11N3O2/c17-12-5-3-10(4-6-12)8-15-16-13(18)11-2-1-7-14-9-11/h1-9,17H,(H,16,18)/b15-8+
InChIKeyILQGNUZMHMAUIR-OVCLIPMQSA-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_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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135483803) is N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1cccnc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is ILQGNUZMHMAUIR-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-5-3-10(4-6-12)8-15-16-13(18)11-2-1-7-14-9-11/h1-9,17H,(H,16,18)/b15-8+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-3-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)-(4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135483803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).