3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid

C13H11N3O3 — CID 113352863

IUPAC3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c1-8-6-9(13(18)19)2-3-11(8)16-12(17)10-4-5-14-15-7-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyXROGYTXTXUONOY-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid

3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid (PubChem CID 113352863) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
PubChem CID113352863
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1ccnnc1
InChIInChI=1S/C13H11N3O3/c1-8-6-9(13(18)19)2-3-11(8)16-12(17)10-4-5-14-15-7-10/h2-7H,1H3,(H,16,17)(H,18,19)
InChIKeyXROGYTXTXUONOY-UHFFFAOYSA-N
XLogP1.74
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(pyridazine-4-carbonylamino)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

3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
N-[4-(4-hydroxybut-1-ynyl)-2-methylphenyl]pyridazine-4-carboxamide
CID 104671804
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
4-[[4-(chloromethyl)benzoyl]amino]-3-methylbenzoic acid
CID 43701836
4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid?
The IUPAC name of 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid (CID 113352863) is 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid?
The canonical SMILES for 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1ccnnc1.
What is the InChIKey of 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid?
The InChIKey is XROGYTXTXUONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-6-9(13(18)19)2-3-11(8)16-12(17)10-4-5-14-15-7-10/h2-7H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid?
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 113352863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).