6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide

C17H13N3O2 — CID 4916029

IUPAC6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13N3O2/c21-16-11-10-15(19-20-16)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,22)(H,20,21)
InChIKeyYXKMUSZOISAOQN-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds3

About 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide (PubChem CID 4916029) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide
PubChem CID4916029
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H13N3O2/c21-16-11-10-15(19-20-16)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,22)(H,20,21)
InChIKeyYXKMUSZOISAOQN-UHFFFAOYSA-N
XLogP2.69
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide (CID 4916029) is 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide?
The InChIKey is YXKMUSZOISAOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-11-10-15(19-20-16)17(22)18-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,18,22)(H,20,21).
What are the key properties of 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-phenylphenyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 4916029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).