N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine

C20H20N4O3 — CID 127041217

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-25-15-9-8-14(19(12-15)27-3)13-21-23-20-11-10-17(22-24-20)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,23,24)/b21-13+
InChIKeyPPNDSUXAKPKZFU-FYJGNVAPSA-N
MW364.41 g/mol
LogP3.62
Rot. Bonds7

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine (PubChem CID 127041217) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine
PubChem CID127041217
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine
SMILESCOc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-25-15-9-8-14(19(12-15)27-3)13-21-23-20-11-10-17(22-24-20)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,23,24)/b21-13+
InChIKeyPPNDSUXAKPKZFU-FYJGNVAPSA-N
XLogP3.62
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
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 N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine (CID 127041217) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine is COc1ccc(/C=N/Nc2ccc(-c3ccccc3OC)nn2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine?
The InChIKey is PPNDSUXAKPKZFU-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-25-15-9-8-14(19(12-15)27-3)13-21-23-20-11-10-17(22-24-20)16-6-4-5-7-18(16)26-2/h4-13H,1-3H3,(H,23,24)/b21-13+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-6-(2-methoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 127041217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).