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

C13H11N3O3 — CID 135478299

IUPACN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1cccnc1
InChIInChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+
InChIKeyVAYBQAFIXQUNOU-VIZOYTHASA-N
MW257.25 g/mol
LogP1.26
Rot. Bonds3

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

N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135478299) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135478299
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccc(O)c(O)c1)c1cccnc1
InChIInChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+
InChIKeyVAYBQAFIXQUNOU-VIZOYTHASA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

Salinazid
CID 135400471
(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
Verazide
CID 9574235
Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
Flavoteben
CID 135400468
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721
3,4,5-trihydroxy-N'-[(1E)-pyridin-3-ylmethylene]benzohydrazide
CID 9615897
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135533081
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]pyridine-3-carbohydrazide
CID 135604370

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 135478299) is N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccc(O)c(O)c1)c1cccnc1.
What is the InChIKey of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is VAYBQAFIXQUNOU-VIZOYTHASA-N. The full InChI is InChI=1S/C13H11N3O3/c17-11-4-3-9(6-12(11)18)7-15-16-13(19)10-2-1-5-14-8-10/h1-8,17-18H,(H,16,19)/b15-7+.
What are the key properties of N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-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)-(3,4-dihydroxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135478299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).