N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide

C20H19N3O2 — CID 134803411

IUPACN-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-23(14-15-7-4-3-5-8-15)20(24)17-10-6-9-16(13-17)18-11-12-19(25-2)22-21-18/h3-13H,14H2,1-2H3
InChIKeyOEOJFGPYSRTVHR-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.42
Rot. Bonds5

About N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide

N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide (PubChem CID 134803411) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
PubChem CID134803411
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide
SMILESCOc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)nn1
InChIInChI=1S/C20H19N3O2/c1-23(14-15-7-4-3-5-8-15)20(24)17-10-6-9-16(13-17)18-11-12-19(25-2)22-21-18/h3-13H,14H2,1-2H3
InChIKeyOEOJFGPYSRTVHR-UHFFFAOYSA-N
XLogP3.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
[3-(6-methoxypyridazin-3-yl)phenyl]methanol
CID 53425314
(4-benzylpiperazin-1-yl)-[3-(6-methoxypyridazin-3-yl)phenyl]methanone
CID 134803605
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
N-benzyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 43333102
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide?
The IUPAC name of N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide (CID 134803411) is N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide.
What is the SMILES notation for N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide?
The canonical SMILES for N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide is COc1ccc(-c2cccc(C(=O)N(C)Cc3ccccc3)c2)nn1.
What is the InChIKey of N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide?
The InChIKey is OEOJFGPYSRTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-23(14-15-7-4-3-5-8-15)20(24)17-10-6-9-16(13-17)18-11-12-19(25-2)22-21-18/h3-13H,14H2,1-2H3.
What are the key properties of N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide?
N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6-methoxypyridazin-3-yl)-N-methylbenzamide is sourced from PubChem (CID 134803411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).