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

C21H22N4O2 — CID 109122465

IUPAC6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-3-7-17(8-4-15)23-21(26)19-11-12-20(25-24-19)22-14-13-16-5-9-18(27-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBXOXCWHYCBMYAM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.70
Rot. Bonds7

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

6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109122465) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
PubChem CID109122465
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(CCNc2ccc(C(=O)Nc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-3-7-17(8-4-15)23-21(26)19-11-12-20(25-24-19)22-14-13-16-5-9-18(27-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyBXOXCWHYCBMYAM-UHFFFAOYSA-N
XLogP3.70
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122508
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60791797
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
N-(4-ethylphenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122354
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122480
methyl 4-[[6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carbonyl]amino]benzoate
CID 109122119
N-(4-methoxyphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118070
6-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118599
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(3,4-dimethylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109122089

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide (CID 109122465) is 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide is COc1ccc(CCNc2ccc(C(=O)Nc3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is BXOXCWHYCBMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-3-7-17(8-4-15)23-21(26)19-11-12-20(25-24-19)22-14-13-16-5-9-18(27-2)10-6-16/h3-12H,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide?
6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).