N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide

C14H14N4O2 — CID 137306340

IUPACN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
SMILESCC/C(=N\NC(=O)c1ccnnc1)c1ccccc1O
InChIInChI=1S/C14H14N4O2/c1-2-12(11-5-3-4-6-13(11)19)17-18-14(20)10-7-8-15-16-9-10/h3-9,19H,2H2,1H3,(H,18,20)/b17-12+
InChIKeyIVNQSEPJHSPRSR-SFQUDFHCSA-N
MW270.29 g/mol
LogP1.73
Rot. Bonds4

About N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide

N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide (PubChem CID 137306340) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
PubChem CID137306340
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide
SMILESCC/C(=N\NC(=O)c1ccnnc1)c1ccccc1O
InChIInChI=1S/C14H14N4O2/c1-2-12(11-5-3-4-6-13(11)19)17-18-14(20)10-7-8-15-16-9-10/h3-9,19H,2H2,1H3,(H,18,20)/b17-12+
InChIKeyIVNQSEPJHSPRSR-SFQUDFHCSA-N
XLogP1.73
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(1E)-1-(2-hydroxyphenyl)ethylidene]pyridine-3-carbohydrazide
CID 135642282
N'-[(1E)-1-(2-hydroxyphenyl)propylidene]pyridine-3-carbohydrazide
CID 135647072
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]pyridazine-4-carboxamide
CID 137317379
N'-[(1E)-1-(2,5-dihydroxyphenyl)ethylidene]-1H-pyrazole-5-carbohydrazide
CID 135400306
2'-Hydroxyacetophenone nicotinoyl hydrazone
CID 761358
2'-Hydroxyacetophenone nicotinoylhydrazone monohydrate
CID 139206878
N-[1-(2,5-dihydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 773496
N-[1-(2-hydroxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 3809486
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
CID 104670810
N-[(3-hydroxyphenyl)methyl]pyridazine-4-carboxamide
CID 112705412
N-[2-(4-hydroxyphenyl)ethyl]pyridazine-4-carboxamide
CID 112705413
N-[1-(2-hydroxyphenyl)ethyl]-N-methylpyridazine-4-carboxamide
CID 112706629

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide (CID 137306340) is N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide is CC/C(=N\NC(=O)c1ccnnc1)c1ccccc1O.
What is the InChIKey of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide?
The InChIKey is IVNQSEPJHSPRSR-SFQUDFHCSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-12(11-5-3-4-6-13(11)19)17-18-14(20)10-7-8-15-16-9-10/h3-9,19H,2H2,1H3,(H,18,20)/b17-12+.
What are the key properties of N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide?
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide has a molecular weight of 270.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyridazine-4-carboxamide is sourced from PubChem (CID 137306340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).