N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

C13H14N4O3 — CID 43376201

IUPACN-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c1-8-3-2-4-9(14)13(8)15-11(19)7-17-12(20)6-5-10(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyKMYJJTRHRHJIQO-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.07
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide

N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (PubChem CID 43376201) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
PubChem CID43376201
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
SMILESCc1cccc(N)c1NC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C13H14N4O3/c1-8-3-2-4-9(14)13(8)15-11(19)7-17-12(20)6-5-10(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18)
InChIKeyKMYJJTRHRHJIQO-UHFFFAOYSA-N
XLogP0.07
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-6-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62849766
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2-amino-6-methylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 60872327
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
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-(aminomethyl)phenyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 16791038
(2R)-2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]propanoic acid
CID 54991207
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-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide (CID 43376201) is N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is Cc1cccc(N)c1NC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
The InChIKey is KMYJJTRHRHJIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-3-2-4-9(14)13(8)15-11(19)7-17-12(20)6-5-10(18)16-17/h2-6H,7,14H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide?
N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide is sourced from PubChem (CID 43376201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).