N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide

C21H22N4O3 — CID 113048755

IUPACN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-13-5-6-15(11-14(13)2)21(26)23-20-10-9-19(24-25-20)22-17-12-16(27-3)7-8-18(17)28-4/h5-12H,1-4H3,(H,22,24)(H,23,25,26)
InChIKeyRDUGRFVKKCEECA-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

About N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide

N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide (PubChem CID 113048755) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
PubChem CID113048755
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
SMILESCOc1ccc(OC)c(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)c1
InChIInChI=1S/C21H22N4O3/c1-13-5-6-15(11-14(13)2)21(26)23-20-10-9-19(24-25-20)22-17-12-16(27-3)7-8-18(17)28-4/h5-12H,1-4H3,(H,22,24)(H,23,25,26)
InChIKeyRDUGRFVKKCEECA-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113048769
N-(2,5-dimethoxyphenyl)-6-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109162635
6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109164323
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
3,4-dimethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]benzamide
CID 113051729
N-[5-(2,5-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034626
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide (CID 113048755) is N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide is COc1ccc(OC)c(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)nn2)c1.
What is the InChIKey of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide?
The InChIKey is RDUGRFVKKCEECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-5-6-15(11-14(13)2)21(26)23-20-10-9-19(24-25-20)22-17-12-16(27-3)7-8-18(17)28-4/h5-12H,1-4H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide?
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113048755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).