methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate

C16H14N4O4 — CID 9355779

IUPACmethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12
InChIInChI=1S/C16H14N4O4/c1-23-15(22)11-6-2-3-7-12(11)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21)
InChIKeyMOFMIWOWDAHNIQ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.53
Rot. Bonds5

About methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate

methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate (PubChem CID 9355779) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
PubChem CID9355779
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Namemethyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12
InChIInChI=1S/C16H14N4O4/c1-23-15(22)11-6-2-3-7-12(11)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21)
InChIKeyMOFMIWOWDAHNIQ-UHFFFAOYSA-N
XLogP1.53
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355707
N-(2,5-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355738
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-yloxymethyl)benzoate
CID 9355701
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 9355719
methyl 2-[[2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 119039032
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetamide
CID 71973429
methyl 2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 836161
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 55672271
methyl 2-[[2-(4-chlorophenoxy)acetyl]amino]benzoate
CID 721359
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]benzoate
CID 1183013
methyl 2-[(2-quinazolin-4-yloxyacetyl)amino]benzoate
CID 2393006
methyl 2-[2-(2-iodoanilino)-2-oxoethoxy]benzoate
CID 7763964

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate (CID 9355779) is methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COc1nnc2ccccn12.
What is the InChIKey of methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate?
The InChIKey is MOFMIWOWDAHNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-23-15(22)11-6-2-3-7-12(11)17-14(21)10-24-16-19-18-13-8-4-5-9-20(13)16/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate?
methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate has a molecular weight of 326.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)acetyl]amino]benzoate is sourced from PubChem (CID 9355779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).