N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide

C19H18N4O3 — CID 113048865

IUPACN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-15-9-8-14(12-16(15)26-2)20-17-10-11-18(23-22-17)21-19(24)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyITPQQYQIFKDEDA-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.49
Rot. Bonds6

About N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide (PubChem CID 113048865) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
PubChem CID113048865
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1OC
InChIInChI=1S/C19H18N4O3/c1-25-15-9-8-14(12-16(15)26-2)20-17-10-11-18(23-22-17)21-19(24)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyITPQQYQIFKDEDA-UHFFFAOYSA-N
XLogP3.49
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
methyl 3-[[6-[(2-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049413
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[6-(3-cyanoanilino)pyridazin-3-yl]-3,4-dimethoxybenzamide
CID 113051223
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
N-[5-(3,4-dimethoxyanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113034755
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-methoxybenzamide
CID 113047536
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
6-(3,4-dimethoxyanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163225

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide (CID 113048865) is N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide is COc1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide?
The InChIKey is ITPQQYQIFKDEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-25-15-9-8-14(12-16(15)26-2)20-17-10-11-18(23-22-17)21-19(24)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide?
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113048865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).