methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate

C17H15N3O3 — CID 53033840

IUPACmethyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)n1ncc2ccc(C)cc21
InChIInChI=1S/C17H15N3O3/c1-11-7-8-12-10-18-20(15(12)9-11)17(22)19-14-6-4-3-5-13(14)16(21)23-2/h3-10H,1-2H3,(H,19,22)
InChIKeyRWUCXJNGDBYTBY-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds2

About methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate

methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate (PubChem CID 53033840) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate
PubChem CID53033840
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Namemethyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)n1ncc2ccc(C)cc21
InChIInChI=1S/C17H15N3O3/c1-11-7-8-12-10-18-20(15(12)9-11)17(22)19-14-6-4-3-5-13(14)16(21)23-2/h3-10H,1-2H3,(H,19,22)
InChIKeyRWUCXJNGDBYTBY-UHFFFAOYSA-N
XLogP3.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(3,7-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 1373381
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491
N-(2-bromophenyl)indazole-1-carboxamide
CID 53033767
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]benzoate
CID 100583620
methyl 2-[[2-methyl-6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 112848094
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901
methyl 2-[3-(3-acetylbenzo[e]indazol-7-yl)propanoylamino]benzoate
CID 42625716
methyl 2-[[6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112849257
methyl 2-[[5-(2,4-dimethylanilino)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962994
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 5-methylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 53399588

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate (CID 53033840) is methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)n1ncc2ccc(C)cc21.
What is the InChIKey of methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate?
The InChIKey is RWUCXJNGDBYTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-11-7-8-12-10-18-20(15(12)9-11)17(22)19-14-6-4-3-5-13(14)16(21)23-2/h3-10H,1-2H3,(H,19,22).
What are the key properties of methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate?
methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate has a molecular weight of 309.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methylindazole-1-carbonyl)amino]benzoate is sourced from PubChem (CID 53033840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).