N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide

C13H14N4O2 — CID 62849766

IUPACN-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C13H14N4O2/c1-9-4-2-5-10(14)13(9)16-11(18)8-17-12(19)6-3-7-15-17/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyHPTTXVXWXCRDOW-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide

N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 62849766) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID62849766
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)Cn1ncccc1=O
InChIInChI=1S/C13H14N4O2/c1-9-4-2-5-10(14)13(9)16-11(18)8-17-12(19)6-3-7-15-17/h2-7H,8,14H2,1H3,(H,16,18)
InChIKeyHPTTXVXWXCRDOW-UHFFFAOYSA-N
XLogP0.77
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872327
N-(2-amino-4-chlorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62850298
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 43376201
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-amino-5-fluorophenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 55126633
N-(2-amino-6-methylphenyl)-2-indol-1-ylacetamide
CID 43376298
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
N-(2-amino-6-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490459
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide (CID 62849766) is N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide is Cc1cccc(N)c1NC(=O)Cn1ncccc1=O.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is HPTTXVXWXCRDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-4-2-5-10(14)13(9)16-11(18)8-17-12(19)6-3-7-15-17/h2-7H,8,14H2,1H3,(H,16,18).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide?
N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 258.28 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 62849766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).