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

C20H20N4O2 — CID 113040884

IUPAC3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccccc3C)nn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-6-3-4-7-16(14)13-21-18-10-11-19(24-23-18)22-20(25)15-8-5-9-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyGKZGKRGBLCORGS-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.66
Rot. Bonds6

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

3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide (PubChem CID 113040884) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
PubChem CID113040884
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NCc3ccccc3C)nn2)c1
InChIInChI=1S/C20H20N4O2/c1-14-6-3-4-7-16(14)13-21-18-10-11-19(24-23-18)22-20(25)15-8-5-9-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyGKZGKRGBLCORGS-UHFFFAOYSA-N
XLogP3.66
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]pyridazin-3-yl]-3-methoxybenzamide
CID 113041613
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
3-methoxy-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044097
3-fluoro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041679
3-chloro-N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041700
3-N-(3-methoxyphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054252
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113040911
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113027186

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide (CID 113040884) is 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide is COc1cccc(C(=O)Nc2ccc(NCc3ccccc3C)nn2)c1.
What is the InChIKey of 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
The InChIKey is GKZGKRGBLCORGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-6-3-4-7-16(14)13-21-18-10-11-19(24-23-18)22-20(25)15-8-5-9-17(12-15)26-2/h3-12H,13H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide?
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.66, 6 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-methylphenyl)methylamino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113040884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).