2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid

C15H15N3O3 — CID 104669683

IUPAC2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(=O)O)c(C)nn1
InChIInChI=1S/C15H15N3O3/c1-8-5-4-6-12(13(8)15(20)21)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19)(H,20,21)
InChIKeyARKLOQDFDCYXSN-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.35
Rot. Bonds3

About 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid

2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid (PubChem CID 104669683) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
PubChem CID104669683
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid
SMILESCc1cc(C(=O)Nc2cccc(C)c2C(=O)O)c(C)nn1
InChIInChI=1S/C15H15N3O3/c1-8-5-4-6-12(13(8)15(20)21)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19)(H,20,21)
InChIKeyARKLOQDFDCYXSN-UHFFFAOYSA-N
XLogP2.35
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
CID 115872529
2-[(2-bromo-4-chlorobenzoyl)amino]-6-methylbenzoic acid
CID 107986716
2-acetamido-6-methylbenzoic acid
CID 2801400
N-(4-hydroxy-2,5-dimethylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136762066
2-[(3,5-dibromobenzoyl)amino]-6-methylbenzoic acid
CID 107971461
2-methyl-6-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921528
2-methyl-6-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66335854
2-[(2-fluoro-6-hydroxybenzoyl)amino]-6-methylbenzoic acid
CID 107013606
2-bromo-5-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoic acid
CID 104669902

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid?
The IUPAC name of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid (CID 104669683) is 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid.
What is the SMILES notation for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid?
The canonical SMILES for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid is Cc1cc(C(=O)Nc2cccc(C)c2C(=O)O)c(C)nn1.
What is the InChIKey of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid?
The InChIKey is ARKLOQDFDCYXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8-5-4-6-12(13(8)15(20)21)16-14(19)11-7-9(2)17-18-10(11)3/h4-7H,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid?
2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-6-methylbenzoic acid is sourced from PubChem (CID 104669683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).