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

C13H11N3O3 — CID 135400282

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccncc1
InChIInChI=1S/C13H11N3O3/c17-11-2-1-10(12(18)7-11)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,17-18H,(H,16,19)/b15-8+
InChIKeyCKBWTRSIUARPEC-OVCLIPMQSA-N
MW257.25 g/mol
LogP1.26
Rot. Bonds3

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135400282) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135400282
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ccncc1
InChIInChI=1S/C13H11N3O3/c17-11-2-1-10(12(18)7-11)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,17-18H,(H,16,19)/b15-8+
InChIKeyCKBWTRSIUARPEC-OVCLIPMQSA-N
XLogP1.26
TPSA94.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 135400282) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1ccncc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is CKBWTRSIUARPEC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-11-2-1-10(12(18)7-11)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,17-18H,(H,16,19)/b15-8+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 257.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135400282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).