2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid

C15H15N3O4 — CID 166367990

IUPAC2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2cnnc(C)c2)cc1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-9-5-11(8-17-18-9)14(19)16-7-10-3-4-13(22-2)12(6-10)15(20)21/h3-6,8H,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBQFWAZYNTKYBMK-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.42
Rot. Bonds5

About 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid

2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 166367990) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
PubChem CID166367990
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid
SMILESCOc1ccc(CNC(=O)c2cnnc(C)c2)cc1C(=O)O
InChIInChI=1S/C15H15N3O4/c1-9-5-11(8-17-18-9)14(19)16-7-10-3-4-13(22-2)12(6-10)15(20)21/h3-6,8H,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBQFWAZYNTKYBMK-UHFFFAOYSA-N
XLogP1.42
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]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

5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 154795566
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
5-[[(2,6-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384671
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63866016
5-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384785
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109261506
2-methoxy-5-[[[2-(trifluoromethyl)benzoyl]amino]methyl]benzoic acid
CID 45384591
5-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-2-methoxybenzoic acid
CID 75459956
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
2-methoxy-5-[[(2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]methyl]benzoic acid
CID 122136455
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid (CID 166367990) is 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid is COc1ccc(CNC(=O)c2cnnc(C)c2)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is BQFWAZYNTKYBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-5-11(8-17-18-9)14(19)16-7-10-3-4-13(22-2)12(6-10)15(20)21/h3-6,8H,7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid?
2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(6-methylpyridazine-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 166367990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).