N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide

C13H14N4O2 — CID 80507952

IUPACN-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nnccc1CN
InChIInChI=1S/C13H14N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyHTMIEQZHCKSQLJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.69
Rot. Bonds4

About N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide

N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide (PubChem CID 80507952) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
PubChem CID80507952
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccccc1Oc1nnccc1CN
InChIInChI=1S/C13H14N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyHTMIEQZHCKSQLJ-UHFFFAOYSA-N
XLogP1.69
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-cyanopyridazin-3-yl)oxyphenyl]acetamide
CID 80510052
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915
(3-phenoxypyridazin-4-yl)methanamine
CID 80507739
N-[2-[[5-(aminomethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 16789726
N-[2-[4-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62946547
N-[2-[2-(aminomethyl)-3-chlorophenoxy]phenyl]acetamide
CID 62502106
N-[2-[(3-sulfamoyl-2-pyridinyl)oxy]phenyl]acetamide
CID 115928437
N-[2-(5-aminopyrimidin-4-yl)oxyphenyl]acetamide
CID 79917590
6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530
(2-acetamidophenyl) hypochlorite
CID 150463309
N-[2-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 80987961
N-[2-(2-amino-5-bromopyrimidin-4-yl)oxyphenyl]acetamide
CID 80882186

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide?
The IUPAC name of N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide (CID 80507952) is N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide is CC(=O)Nc1ccccc1Oc1nnccc1CN.
What is the InChIKey of N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide?
The InChIKey is HTMIEQZHCKSQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)16-11-4-2-3-5-12(11)19-13-10(8-14)6-7-15-17-13/h2-7H,8,14H2,1H3,(H,16,18).
What are the key properties of N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide?
N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide has a molecular weight of 258.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)pyridazin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 80507952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).