3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide

C20H19N3O2 — CID 134803345

IUPAC3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-25-19-11-10-18(22-23-19)16-8-5-9-17(14-16)20(24)21-13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,24)
InChIKeyIOYKGYMDJURVKB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.12
Rot. Bonds6

About 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide

3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide (PubChem CID 134803345) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
PubChem CID134803345
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-25-19-11-10-18(22-23-19)16-8-5-9-17(14-16)20(24)21-13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,24)
InChIKeyIOYKGYMDJURVKB-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
CID 134803411
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 170510965
2-methoxy-N-(2-phenylethyl)pyridine-4-carboxamide
CID 84580463
3-[6-(benzylamino)pyridazin-3-yl]-N-(2-methoxyethyl)benzamide
CID 50815961
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)benzamide
CID 86048215
3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N-(2-phenylethyl)benzamide
CID 46322463
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide (CID 134803345) is 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide is COc1ccc(-c2cccc(C(=O)NCCc3ccccc3)c2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide?
The InChIKey is IOYKGYMDJURVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-11-10-18(22-23-19)16-8-5-9-17(14-16)20(24)21-13-12-15-6-3-2-4-7-15/h2-11,14H,12-13H2,1H3,(H,21,24).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide?
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 134803345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).