2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide

C14H16N4O2 — CID 61095824

IUPAC2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
SMILESCc1nnc(Oc2ccccc2C(N)=O)c(CN)c1C
InChIInChI=1S/C14H16N4O2/c1-8-9(2)17-18-14(11(8)7-15)20-12-6-4-3-5-10(12)13(16)19/h3-6H,7,15H2,1-2H3,(H2,16,19)
InChIKeyOIMVVDYRXJJCLK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.44
Rot. Bonds4

About 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide

2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide (PubChem CID 61095824) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
PubChem CID61095824
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide
SMILESCc1nnc(Oc2ccccc2C(N)=O)c(CN)c1C
InChIInChI=1S/C14H16N4O2/c1-8-9(2)17-18-14(11(8)7-15)20-12-6-4-3-5-10(12)13(16)19/h3-6H,7,15H2,1-2H3,(H2,16,19)
InChIKeyOIMVVDYRXJJCLK-UHFFFAOYSA-N
XLogP1.44
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5,6-dimethyl-3-(2-phenoxyethoxy)pyridazin-4-yl]methanamine
CID 61098225
(5,6-dimethyl-3-naphthalen-2-yloxypyridazin-4-yl)methanamine
CID 61097627
2-(6-chloro-5-methylpyrimidin-4-yl)oxybenzamide
CID 63734333
[5,6-dimethyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl]methanamine
CID 61096219
2-(1-amino-1-oxobutan-2-yl)oxybenzamide
CID 62899921
2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
CID 61038453
5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
(2-carbamoylphenoxy)carbamic acid
CID 174929401
2-[2-(hydroxymethyl)phenoxy]benzamide
CID 28945887
2-(3-methylphenoxy)benzamide
CID 70968841
2-[(4-methyl-1,3-thiazol-2-yl)oxy]benzamide
CID 142116921
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide?
The IUPAC name of 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide (CID 61095824) is 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide.
What is the SMILES notation for 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide?
The canonical SMILES for 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide is Cc1nnc(Oc2ccccc2C(N)=O)c(CN)c1C.
What is the InChIKey of 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide?
The InChIKey is OIMVVDYRXJJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-9(2)17-18-14(11(8)7-15)20-12-6-4-3-5-10(12)13(16)19/h3-6H,7,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide?
2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide has a molecular weight of 272.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]oxybenzamide is sourced from PubChem (CID 61095824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).