1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone

C19H17N3O2 — CID 644406

IUPAC1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C19H17N3O2/c1-13(23)14-6-5-7-15(12-14)20-19-11-10-17(21-22-19)16-8-3-4-9-18(16)24-2/h3-12H,1-2H3,(H,20,22)
InChIKeyDZSAUXZAUXWHKS-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.10
Rot. Bonds5

About 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone

1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone (PubChem CID 644406) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone
PubChem CID644406
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone
SMILESCOc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C19H17N3O2/c1-13(23)14-6-5-7-15(12-14)20-19-11-10-17(21-22-19)16-8-3-4-9-18(16)24-2/h3-12H,1-2H3,(H,20,22)
InChIKeyDZSAUXZAUXWHKS-UHFFFAOYSA-N
XLogP4.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
CID 1394690
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
Ethyl 3-[(4-methoxyphenyl)amino]-5,6-diphenylpyridazine-4-carboxylate
CID 6409844
[6-(2-Methoxy-phenyl)-pyridazin-3-yl]-(3-trifluoromethyl-phenyl)-amine
CID 6411208
{4-[6-(2-Methoxy-phenyl)-pyridazin-3-ylamino]-phenyl}-morpholin-4-yl-methanone
CID 6411210
3-methoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422448
N-(1-phenyl-3-(3-methoxyphenyl)-1H-pyrazol-3-yl)benzamide
CID 11717640
4-[(6-Methoxypyridazin-3-yl)amino]naphthalene-1,2-dione
CID 267581
2-[4-[[1-(2-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-yl]amino]phenyl]acetamide
CID 142487500
N-(4-methoxyphenyl)-6-phenylpyridazin-3-amine
CID 71528646
US10308615, Example 88
CID 134539285

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The IUPAC name of 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone (CID 644406) is 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone is COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
The InChIKey is DZSAUXZAUXWHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(23)14-6-5-7-15(12-14)20-19-11-10-17(21-22-19)16-8-3-4-9-18(16)24-2/h3-12H,1-2H3,(H,20,22).
What are the key properties of 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone?
1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone has a molecular weight of 319.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[6-(2-methoxyphenyl)pyridazin-3-yl]amino]phenyl]ethanone is sourced from PubChem (CID 644406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).