6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide

C20H18BrN3O3 — CID 133381853

IUPAC6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Oc2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C20H18BrN3O3/c21-15-3-1-14-12-17(4-2-13(14)11-15)27-19-6-5-18(23-24-19)20(25)22-16-7-9-26-10-8-16/h1-6,11-12,16H,7-10H2,(H,22,25)
InChIKeyAHYZCYGFZFHYFX-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.09
Rot. Bonds4

About 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide

6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 133381853) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID133381853
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Oc2ccc3cc(Br)ccc3c2)nn1
InChIInChI=1S/C20H18BrN3O3/c21-15-3-1-14-12-17(4-2-13(14)11-15)27-19-6-5-18(23-24-19)20(25)22-16-7-9-26-10-8-16/h1-6,11-12,16H,7-10H2,(H,22,25)
InChIKeyAHYZCYGFZFHYFX-UHFFFAOYSA-N
XLogP4.09
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 133381853) is 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(Oc2ccc3cc(Br)ccc3c2)nn1.
What is the InChIKey of 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is AHYZCYGFZFHYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-15-3-1-14-12-17(4-2-13(14)11-15)27-19-6-5-18(23-24-19)20(25)22-16-7-9-26-10-8-16/h1-6,11-12,16H,7-10H2,(H,22,25).
What are the key properties of 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromonaphthalen-2-yl)oxy-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 133381853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).