N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

C20H20N4O2 — CID 109118070

IUPACN-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-21-19-12-11-18(23-24-19)20(25)22-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCZRRMBPLMGWOJF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.66
Rot. Bonds6

About N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide

N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 109118070) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID109118070
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-21-19-12-11-18(23-24-19)20(25)22-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCZRRMBPLMGWOJF-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide (CID 109118070) is N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCc3ccccc3C)nn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is CZRRMBPLMGWOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-5-3-4-6-15(14)13-21-19-12-11-18(23-24-19)20(25)22-16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide?
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109118070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).