4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

C26H25N5O3 — CID 46148880

IUPAC4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc(Oc2cnn(C)c(=O)c2Nc2ccc(C(=O)NCc3cccnc3)cc2)c1C
InChIInChI=1S/C26H25N5O3/c1-17-6-4-8-22(18(17)2)34-23-16-29-31(3)26(33)24(23)30-21-11-9-20(10-12-21)25(32)28-15-19-7-5-13-27-14-19/h4-14,16,30H,15H2,1-3H3,(H,28,32)
InChIKeyIXUINRWTKVKUOI-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.26
Rot. Bonds7

About 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide

4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 46148880) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID46148880
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1cccc(Oc2cnn(C)c(=O)c2Nc2ccc(C(=O)NCc3cccnc3)cc2)c1C
InChIInChI=1S/C26H25N5O3/c1-17-6-4-8-22(18(17)2)34-23-16-29-31(3)26(33)24(23)30-21-11-9-20(10-12-21)25(32)28-15-19-7-5-13-27-14-19/h4-14,16,30H,15H2,1-3H3,(H,28,32)
InChIKeyIXUINRWTKVKUOI-UHFFFAOYSA-N
XLogP4.26
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide with MolForge

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Related Compounds

4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819
4-[[2-(3-chlorophenyl)-5-ethoxy-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 42834297
4-[[5-(2,3-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzoic acid
CID 42830232
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
4-[[5-(3,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-methylbenzamide
CID 42832669
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-[[5-(2,4-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 46148858
4-[[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 42836651
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide (CID 46148880) is 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide is Cc1cccc(Oc2cnn(C)c(=O)c2Nc2ccc(C(=O)NCc3cccnc3)cc2)c1C.
What is the InChIKey of 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is IXUINRWTKVKUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-17-6-4-8-22(18(17)2)34-23-16-29-31(3)26(33)24(23)30-21-11-9-20(10-12-21)25(32)28-15-19-7-5-13-27-14-19/h4-14,16,30H,15H2,1-3H3,(H,28,32).
What are the key properties of 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide?
4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 455.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,3-dimethylphenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46148880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).