methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate

C16H14N4O3 — CID 154750121

IUPACmethyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2nnc3cc(C)ccn23)c1
InChIInChI=1S/C16H14N4O3/c1-10-6-7-20-13(8-10)18-19-16(20)17-14(21)11-4-3-5-12(9-11)15(22)23-2/h3-9H,1-2H3,(H,17,19,21)
InChIKeyMCVYUFFMFYRMSL-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.08
Rot. Bonds3

About methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate

methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate (PubChem CID 154750121) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate
PubChem CID154750121
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Namemethyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2nnc3cc(C)ccn23)c1
InChIInChI=1S/C16H14N4O3/c1-10-6-7-20-13(8-10)18-19-16(20)17-14(21)11-4-3-5-12(9-11)15(22)23-2/h3-9H,1-2H3,(H,17,19,21)
InChIKeyMCVYUFFMFYRMSL-UHFFFAOYSA-N
XLogP2.08
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate with MolForge

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Related Compounds

methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
methyl 3-[(6-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799748
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
3-anilino-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)benzamide
CID 167871287
N-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)octanamide
CID 71856322
CID 70265363
CID 70265363
CID 159558349
CID 159558349
methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
azane;dimethyl benzene-1,3-dicarboxylate;hydron
CID 175196363

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate?
The IUPAC name of methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate (CID 154750121) is methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate is COC(=O)c1cccc(C(=O)Nc2nnc3cc(C)ccn23)c1.
What is the InChIKey of methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate?
The InChIKey is MCVYUFFMFYRMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-10-6-7-20-13(8-10)18-19-16(20)17-14(21)11-4-3-5-12(9-11)15(22)23-2/h3-9H,1-2H3,(H,17,19,21).
What are the key properties of methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate?
methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate has a molecular weight of 310.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)carbamoyl]benzoate is sourced from PubChem (CID 154750121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).