N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

C13H12N4O4 — CID 135521451

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)ccc1O
InChIInChI=1S/C13H12N4O4/c1-21-11-6-8(2-4-10(11)18)7-14-17-13(20)9-3-5-12(19)16-15-9/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-7+
InChIKeyAMYPMGKRRGECJN-VGOFMYFVSA-N
MW288.26 g/mol
LogP0.25
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 135521451) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID135521451
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)ccc1O
InChIInChI=1S/C13H12N4O4/c1-21-11-6-8(2-4-10(11)18)7-14-17-13(20)9-3-5-12(19)16-15-9/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-7+
InChIKeyAMYPMGKRRGECJN-VGOFMYFVSA-N
XLogP0.25
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
CID 869840
5-tert-butyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135514234
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-methyl-1,2-oxazole-3-carboxamide
CID 135782124
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135594504
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135777345
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135633946
N-[(3-fluorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 947874

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 135521451) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is COc1cc(/C=N/NC(=O)c2ccc(=O)[nH]n2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is AMYPMGKRRGECJN-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-21-11-6-8(2-4-10(11)18)7-14-17-13(20)9-3-5-12(19)16-15-9/h2-7,18H,1H3,(H,16,19)(H,17,20)/b14-7+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 135521451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).