6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide

C15H16N4O5 — CID 5413950

IUPAC6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C15H16N4O5/c1-22-11-6-9(7-12(23-2)14(11)24-3)8-16-19-15(21)10-4-5-13(20)18-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21)/b16-8-
InChIKeyJWWYNXMWSGJWBE-PXNMLYILSA-N
MW332.32 g/mol
LogP0.56
Rot. Bonds6

About 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide

6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide (PubChem CID 5413950) has the molecular formula C15H16N4O5 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
PubChem CID5413950
Molecular FormulaC15H16N4O5
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC
InChIInChI=1S/C15H16N4O5/c1-22-11-6-9(7-12(23-2)14(11)24-3)8-16-19-15(21)10-4-5-13(20)18-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21)/b16-8-
InChIKeyJWWYNXMWSGJWBE-PXNMLYILSA-N
XLogP0.56
TPSA114.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide (CID 5413950) is 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide is COc1cc(/C=N\NC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC.
What is the InChIKey of 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide?
The InChIKey is JWWYNXMWSGJWBE-PXNMLYILSA-N. The full InChI is InChI=1S/C15H16N4O5/c1-22-11-6-9(7-12(23-2)14(11)24-3)8-16-19-15(21)10-4-5-13(20)18-17-10/h4-8H,1-3H3,(H,18,20)(H,19,21)/b16-8-.
What are the key properties of 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 5413950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).