2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide

C13H14N4O — CID 106894537

IUPAC2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCc1cccnn1
InChIInChI=1S/C13H14N4O/c14-12-6-2-1-4-10(12)8-13(18)15-9-11-5-3-7-16-17-11/h1-7H,8-9,14H2,(H,15,18)
InChIKeyBBXQICRVVNVNDE-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.92
Rot. Bonds4

About 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide

2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide (PubChem CID 106894537) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
PubChem CID106894537
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCc1cccnn1
InChIInChI=1S/C13H14N4O/c14-12-6-2-1-4-10(12)8-13(18)15-9-11-5-3-7-16-17-11/h1-7H,8-9,14H2,(H,15,18)
InChIKeyBBXQICRVVNVNDE-UHFFFAOYSA-N
XLogP0.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
CID 106896210
3-amino-N-(pyridazin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 106898044
2-chloro-N-(pyridazin-3-ylmethyl)propanamide
CID 106895464
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
2-amino-5-hydroxy-N-(pyridazin-3-ylmethyl)benzamide
CID 102739503
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
(2R)-2-amino-N-(pyridazin-3-ylmethyl)pentanamide
CID 107570944
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
5-amino-2,4-difluoro-N-(pyridazin-3-ylmethyl)benzamide
CID 106894546

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide (CID 106894537) is 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide is Nc1ccccc1CC(=O)NCc1cccnn1.
What is the InChIKey of 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide?
The InChIKey is BBXQICRVVNVNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-12-6-2-1-4-10(12)8-13(18)15-9-11-5-3-7-16-17-11/h1-7H,8-9,14H2,(H,15,18).
What are the key properties of 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide?
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide is sourced from PubChem (CID 106894537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).