3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide

C19H18N4O2 — CID 113045604

IUPAC3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3C)nn2)c1
InChIInChI=1S/C19H18N4O2/c1-13-6-3-4-9-16(13)20-17-10-11-18(23-22-17)21-19(24)14-7-5-8-15(12-14)25-2/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeySXMKFDYBMIJNHJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.79
Rot. Bonds5

About 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide

3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide (PubChem CID 113045604) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
PubChem CID113045604
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3C)nn2)c1
InChIInChI=1S/C19H18N4O2/c1-13-6-3-4-9-16(13)20-17-10-11-18(23-22-17)21-19(24)14-7-5-8-15(12-14)25-2/h3-12H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeySXMKFDYBMIJNHJ-UHFFFAOYSA-N
XLogP3.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113047158
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113048755
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113016868
N-[6-(2-bromoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113050053
methyl 2-[[6-[(4-methoxybenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113049352

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide (CID 113045604) is 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide is COc1cccc(C(=O)Nc2ccc(Nc3ccccc3C)nn2)c1.
What is the InChIKey of 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
The InChIKey is SXMKFDYBMIJNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-6-3-4-9-16(13)20-17-10-11-18(23-22-17)21-19(24)14-7-5-8-15(12-14)25-2/h3-12H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide?
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide has a molecular weight of 334.38 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113045604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).