N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide

C17H13N3O2 — CID 71579986

IUPACN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C17H13N3O2/c21-16(13-9-5-2-6-10-13)18-15-11-14(17(22)20-19-15)12-7-3-1-4-8-12/h1-11H,(H,20,22)(H,18,19,21)
InChIKeyLBOBMZIDBNBJSJ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.69
Rot. Bonds3

About N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide

N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide (PubChem CID 71579986) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
PubChem CID71579986
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1
InChIInChI=1S/C17H13N3O2/c21-16(13-9-5-2-6-10-13)18-15-11-14(17(22)20-19-15)12-7-3-1-4-8-12/h1-11H,(H,20,22)(H,18,19,21)
InChIKeyLBOBMZIDBNBJSJ-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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Related Compounds

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]benzamide
CID 140931669
4-bromo-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 5330996
3-hydroxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide
CID 110472399
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
5-phenyl-3-(propylamino)-1H-pyridazin-6-one
CID 71580091
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(6-phenyl-2-pyridinyl)benzamide
CID 24949410
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 155501513
1-N,3-N-bis(5-pyridin-2-yl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
CID 102492957
N-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]benzamide
CID 778152
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
N-(4-benzamido-2,5-diethoxyphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 46554717

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide?
The IUPAC name of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide (CID 71579986) is N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide is O=C(Nc1cc(-c2ccccc2)c(=O)[nH]n1)c1ccccc1.
What is the InChIKey of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide?
The InChIKey is LBOBMZIDBNBJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(13-9-5-2-6-10-13)18-15-11-14(17(22)20-19-15)12-7-3-1-4-8-12/h1-11H,(H,20,22)(H,18,19,21).
What are the key properties of N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide?
N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide 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 N-(6-oxo-5-phenyl-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 71579986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).