2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide

C19H19N3O4 — CID 56876393

IUPAC2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1N=C(c2ccccc2)CCC1=O)c1c(O)cccc1O
InChIInChI=1S/C19H19N3O4/c23-15-7-4-8-16(24)18(15)19(26)20-11-12-22-17(25)10-9-14(21-22)13-5-2-1-3-6-13/h1-8,23-24H,9-12H2,(H,20,26)
InChIKeyOKKSCPYJUVQXHA-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.85
Rot. Bonds5

About 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide

2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide (PubChem CID 56876393) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide
PubChem CID56876393
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1N=C(c2ccccc2)CCC1=O)c1c(O)cccc1O
InChIInChI=1S/C19H19N3O4/c23-15-7-4-8-16(24)18(15)19(26)20-11-12-22-17(25)10-9-14(21-22)13-5-2-1-3-6-13/h1-8,23-24H,9-12H2,(H,20,26)
InChIKeyOKKSCPYJUVQXHA-UHFFFAOYSA-N
XLogP1.85
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide (CID 56876393) is 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide is O=C(NCCN1N=C(c2ccccc2)CCC1=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide?
The InChIKey is OKKSCPYJUVQXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-15-7-4-8-16(24)18(15)19(26)20-11-12-22-17(25)10-9-14(21-22)13-5-2-1-3-6-13/h1-8,23-24H,9-12H2,(H,20,26).
What are the key properties of 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide?
2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 56876393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).