4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid

C15H15N3O3 — CID 104669326

IUPAC4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-3-13-12(8-9(2)17-18-13)14(19)16-11-6-4-10(5-7-11)15(20)21/h4-8H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMTTJGFBLPGWGEM-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.30
Rot. Bonds4

About 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid

4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid (PubChem CID 104669326) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
PubChem CID104669326
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15N3O3/c1-3-13-12(8-9(2)17-18-13)14(19)16-11-6-4-10(5-7-11)15(20)21/h4-8H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyMTTJGFBLPGWGEM-UHFFFAOYSA-N
XLogP2.30
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 104669549
N-(3-amino-4-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669073
N-(6-chloro-3-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623754
N-(4-amino-3-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671325
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330
2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
N-(2-bromophenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623080
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
N-(4-amino-2-methylphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669043
N-(5-bromo-6-methyl-2-pyridinyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624513
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid (CID 104669326) is 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid is CCc1nnc(C)cc1C(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid?
The InChIKey is MTTJGFBLPGWGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-13-12(8-9(2)17-18-13)14(19)16-11-6-4-10(5-7-11)15(20)21/h4-8H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid?
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 104669326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).