5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid

C14H13N3O4 — CID 43172077

IUPAC5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O4/c1-8-3-4-10(9(7-8)14(20)21)15-13(19)11-5-6-12(18)17(2)16-11/h3-7H,1-2H3,(H,15,19)(H,20,21)
InChIKeyZGMUPWZMSOWPSP-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.04
Rot. Bonds3

About 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid

5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid (PubChem CID 43172077) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
PubChem CID43172077
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
SMILESCc1ccc(NC(=O)c2ccc(=O)n(C)n2)c(C(=O)O)c1
InChIInChI=1S/C14H13N3O4/c1-8-3-4-10(9(7-8)14(20)21)15-13(19)11-5-6-12(18)17(2)16-11/h3-7H,1-2H3,(H,15,19)(H,20,21)
InChIKeyZGMUPWZMSOWPSP-UHFFFAOYSA-N
XLogP1.04
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid 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

2-chloro-5-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60749367
3-hydroxy-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60826901
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]pyrazine-2-carboxylic acid
CID 63262070
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560
1-benzyl-N-(2,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 2635662
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
1-methyl-N-[4-(2-methylpropanoylamino)phenyl]-6-oxopyridazine-3-carboxamide
CID 26907068

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid (CID 43172077) is 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid is Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
The InChIKey is ZGMUPWZMSOWPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-3-4-10(9(7-8)14(20)21)15-13(19)11-5-6-12(18)17(2)16-11/h3-7H,1-2H3,(H,15,19)(H,20,21).
What are the key properties of 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid?
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43172077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).