methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate

C15H15N3O3 — CID 115872529

IUPACmethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C15H15N3O3/c1-9-8-12(10(2)18-17-9)14(19)16-13-7-5-4-6-11(13)15(20)21-3/h4-8H,1-3H3,(H,16,19)
InChIKeyCJFLNVMTXYDAFB-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.13
Rot. Bonds3

About methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate

methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate (PubChem CID 115872529) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
PubChem CID115872529
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C15H15N3O3/c1-9-8-12(10(2)18-17-9)14(19)16-13-7-5-4-6-11(13)15(20)21-3/h4-8H,1-3H3,(H,16,19)
InChIKeyCJFLNVMTXYDAFB-UHFFFAOYSA-N
XLogP2.13
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-3-methylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670586
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]benzoate
CID 18126786
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
methyl 2-[(2-bromo-4-chlorobenzoyl)amino]benzoate
CID 103763170
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
N-(4-hydroxy-2,5-dimethylphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136762066
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-(pyridazine-4-carbonylamino)benzoate
CID 112706538

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate (CID 115872529) is methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cc(C)nnc1C.
What is the InChIKey of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate?
The InChIKey is CJFLNVMTXYDAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-8-12(10(2)18-17-9)14(19)16-13-7-5-4-6-11(13)15(20)21-3/h4-8H,1-3H3,(H,16,19).
What are the key properties of methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate?
methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate has a molecular weight of 285.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,6-dimethylpyridazine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 115872529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).