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

C14H14N4O4 — CID 6884269

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C14H14N4O4/c1-21-11-5-3-9(7-12(11)22-2)8-15-18-14(20)10-4-6-13(19)17-16-10/h3-8H,1-2H3,(H,17,19)(H,18,20)/b15-8+
InChIKeyLASRHNOCVWGWFR-OVCLIPMQSA-N
MW302.29 g/mol
LogP0.55
Rot. Bonds5

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

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 6884269) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID6884269
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc1OC
InChIInChI=1S/C14H14N4O4/c1-21-11-5-3-9(7-12(11)22-2)8-15-18-14(20)10-4-6-13(19)17-16-10/h3-8H,1-2H3,(H,17,19)(H,18,20)/b15-8+
InChIKeyLASRHNOCVWGWFR-OVCLIPMQSA-N
XLogP0.55
TPSA105.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide (CID 6884269) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LASRHNOCVWGWFR-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-21-11-5-3-9(7-12(11)22-2)8-15-18-14(20)10-4-6-13(19)17-16-10/h3-8H,1-2H3,(H,17,19)(H,18,20)/b15-8+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 6884269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).