N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide

C21H22N4O2 — CID 113048579

IUPACN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccccc2C)nn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-18(27-3)17(12-14)22-19-10-11-20(25-24-19)23-21(26)13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyATBBBIYLVBAMGE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.03
Rot. Bonds6

About N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 113048579) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
PubChem CID113048579
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccccc2C)nn1
InChIInChI=1S/C21H22N4O2/c1-14-8-9-18(27-3)17(12-14)22-19-10-11-20(25-24-19)23-21(26)13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyATBBBIYLVBAMGE-UHFFFAOYSA-N
XLogP4.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113048581
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
2-chloro-N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]benzamide
CID 113048567
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
N-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113042675
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113020114
methyl 4-[[6-[[2-(2-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049497
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide (CID 113048579) is N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide is COc1ccc(C)cc1Nc1ccc(NC(=O)Cc2ccccc2C)nn1.
What is the InChIKey of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
The InChIKey is ATBBBIYLVBAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-8-9-18(27-3)17(12-14)22-19-10-11-20(25-24-19)23-21(26)13-16-7-5-4-6-15(16)2/h4-12H,13H2,1-3H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide?
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113048579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).