2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide

C14H14N6O — CID 80515581

IUPAC2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
SMILESN#Cc1ccnnc1N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H14N6O/c15-7-11-5-6-18-19-14(11)20(9-13(17)21)8-10-1-3-12(16)4-2-10/h1-6H,8-9,16H2,(H2,17,21)
InChIKeyAVPLYRBDOQNUIZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.42
Rot. Bonds5

About 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide

2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide (PubChem CID 80515581) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
PubChem CID80515581
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide
SMILESN#Cc1ccnnc1N(CC(N)=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H14N6O/c15-7-11-5-6-18-19-14(11)20(9-13(17)21)8-10-1-3-12(16)4-2-10/h1-6H,8-9,16H2,(H2,17,21)
InChIKeyAVPLYRBDOQNUIZ-UHFFFAOYSA-N
XLogP0.42
TPSA121.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide (CID 80515581) is 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide is N#Cc1ccnnc1N(CC(N)=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide?
The InChIKey is AVPLYRBDOQNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c15-7-11-5-6-18-19-14(11)20(9-13(17)21)8-10-1-3-12(16)4-2-10/h1-6H,8-9,16H2,(H2,17,21).
What are the key properties of 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide?
2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-(4-cyanopyridazin-3-yl)amino]acetamide is sourced from PubChem (CID 80515581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).