2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide

C23H19N5O — CID 46926974

IUPAC2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cnc1-c1ccnnc1
InChIInChI=1S/C23H19N5O/c1-16-11-17(13-25-23(16)19-9-10-26-27-14-19)12-22(29)28-20-7-8-21(24-15-20)18-5-3-2-4-6-18/h2-11,13-15H,12H2,1H3,(H,28,29)
InChIKeyVCANCYZGCBUUJG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.09
Rot. Bonds5

About 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide

2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide (PubChem CID 46926974) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide
PubChem CID46926974
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cnc1-c1ccnnc1
InChIInChI=1S/C23H19N5O/c1-16-11-17(13-25-23(16)19-9-10-26-27-14-19)12-22(29)28-20-7-8-21(24-15-20)18-5-3-2-4-6-18/h2-11,13-15H,12H2,1H3,(H,28,29)
InChIKeyVCANCYZGCBUUJG-UHFFFAOYSA-N
XLogP4.09
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The IUPAC name of 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide (CID 46926974) is 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide is Cc1cc(CC(=O)Nc2ccc(-c3ccccc3)nc2)cnc1-c1ccnnc1.
What is the InChIKey of 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide?
The InChIKey is VCANCYZGCBUUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-16-11-17(13-25-23(16)19-9-10-26-27-14-19)12-22(29)28-20-7-8-21(24-15-20)18-5-3-2-4-6-18/h2-11,13-15H,12H2,1H3,(H,28,29).
What are the key properties of 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide?
2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-6-pyridazin-4-yl-3-pyridinyl)-N-(6-phenyl-3-pyridinyl)acetamide is sourced from PubChem (CID 46926974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).