3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid

C18H15N3O2 — CID 25219798

IUPAC3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
SMILESCc1cccc(-c2ccc(Nc3cccc(C(=O)O)c3)nn2)c1
InChIInChI=1S/C18H15N3O2/c1-12-4-2-5-13(10-12)16-8-9-17(21-20-16)19-15-7-3-6-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23)
InChIKeyJKFUJGXOGBUTCS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.89
Rot. Bonds4

About 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid

3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid (PubChem CID 25219798) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
PubChem CID25219798
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid
SMILESCc1cccc(-c2ccc(Nc3cccc(C(=O)O)c3)nn2)c1
InChIInChI=1S/C18H15N3O2/c1-12-4-2-5-13(10-12)16-8-9-17(21-20-16)19-15-7-3-6-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23)
InChIKeyJKFUJGXOGBUTCS-UHFFFAOYSA-N
XLogP3.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50778643
N-(3-methoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322365
N-(2-ethoxyphenyl)-3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46322363
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
[3-[(6-phenylpyridazin-3-yl)amino]phenyl]-pyrrolidin-1-ylmethanone
CID 50778603
N-(3,4-dimethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322454
N-(3-methoxypropyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776950
N-[(4-chlorophenyl)methyl]-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320705
2-[[6-(3-methylphenyl)pyridazin-3-yl]amino]cyclopropane-1-carboxylic acid
CID 116971543
N-(cyclopropylmethyl)-3-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 164589480
N-(3-chloro-4-methoxyphenyl)-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320698
N-(4-ethylphenyl)-3-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46322448

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid?
The IUPAC name of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid (CID 25219798) is 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid.
What is the SMILES notation for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid?
The canonical SMILES for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid is Cc1cccc(-c2ccc(Nc3cccc(C(=O)O)c3)nn2)c1.
What is the InChIKey of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid?
The InChIKey is JKFUJGXOGBUTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-12-4-2-5-13(10-12)16-8-9-17(21-20-16)19-15-7-3-6-14(11-15)18(22)23/h2-11H,1H3,(H,19,21)(H,22,23).
What are the key properties of 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid?
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid has a molecular weight of 305.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzoic acid is sourced from PubChem (CID 25219798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).