2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

C19H19N3O3 — CID 15945716

IUPAC2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C19H19N3O3/c1-12-11-17(23)21-22-18(12)13-7-9-14(10-8-13)20-19(24)15-5-3-4-6-16(15)25-2/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyXMCZSMKDACSPTQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.81
Rot. Bonds4

About 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 15945716) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID15945716
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C19H19N3O3/c1-12-11-17(23)21-22-18(12)13-7-9-14(10-8-13)20-19(24)15-5-3-4-6-16(15)25-2/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyXMCZSMKDACSPTQ-UHFFFAOYSA-N
XLogP2.81
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 15945716) is 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is XMCZSMKDACSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-11-17(23)21-22-18(12)13-7-9-14(10-8-13)20-19(24)15-5-3-4-6-16(15)25-2/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 15945716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).