N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

C26H24N4O2 — CID 46322363

IUPACN-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1
InChIInChI=1S/C26H24N4O2/c1-3-32-24-13-5-4-12-23(24)28-26(31)20-10-7-11-21(17-20)27-25-15-14-22(29-30-25)19-9-6-8-18(2)16-19/h4-17H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyINVCGEUEVIRMEQ-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.85
Rot. Bonds7

About N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide

N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (PubChem CID 46322363) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
PubChem CID46322363
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
SMILESCCOc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1
InChIInChI=1S/C26H24N4O2/c1-3-32-24-13-5-4-12-23(24)28-26(31)20-10-7-11-21(17-20)27-25-15-14-22(29-30-25)19-9-6-8-18(2)16-19/h4-17H,3H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyINVCGEUEVIRMEQ-UHFFFAOYSA-N
XLogP5.85
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(2-ethoxyphenyl)-4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327267
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
CID 25219798
N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
CID 113048466
3-(2,2-dimethylpropanoylamino)-N-(2-ethoxyphenyl)benzamide
CID 35339665
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448
N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169864
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide (CID 46322363) is N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is CCOc1ccccc1NC(=O)c1cccc(Nc2ccc(-c3cccc(C)c3)nn2)c1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
The InChIKey is INVCGEUEVIRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-3-32-24-13-5-4-12-23(24)28-26(31)20-10-7-11-21(17-20)27-25-15-14-22(29-30-25)19-9-6-8-18(2)16-19/h4-17H,3H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide?
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide has a molecular weight of 424.50 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide is sourced from PubChem (CID 46322363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).