N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide

C18H15N3O2 — CID 7422501

IUPACN-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1
InChIInChI=1S/C18H15N3O2/c1-23-17-11-10-16(20-21-17)14-8-5-9-15(12-14)19-18(22)13-6-3-2-4-7-13/h2-12H,1H3,(H,19,22)
InChIKeyVNFFVHVABLHQSE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.40
Rot. Bonds4

About N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide

N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (PubChem CID 7422501) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
PubChem CID7422501
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1
InChIInChI=1S/C18H15N3O2/c1-23-17-11-10-16(20-21-17)14-8-5-9-15(12-14)19-18(22)13-6-3-2-4-7-13/h2-12H,1H3,(H,19,22)
InChIKeyVNFFVHVABLHQSE-UHFFFAOYSA-N
XLogP3.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The IUPAC name of N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide (CID 7422501) is N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is COc1ccc(-c2cccc(NC(=O)c3ccccc3)c2)nn1.
What is the InChIKey of N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
The InChIKey is VNFFVHVABLHQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-17-11-10-16(20-21-17)14-8-5-9-15(12-14)19-18(22)13-6-3-2-4-7-13/h2-12H,1H3,(H,19,22).
What are the key properties of N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide?
N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).