tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate

C20H22N4O4 — CID 67615037

IUPACtert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1c(OCc2ccccc2)ccn2cnnc12
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-16(25)11-21-19(26)17-15(9-10-24-13-22-23-18(17)24)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,26)
InChIKeyAZBYGANLQPQJIN-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.38
Rot. Bonds6

About tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate

tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate (PubChem CID 67615037) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate
PubChem CID67615037
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nametert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)c1c(OCc2ccccc2)ccn2cnnc12
InChIInChI=1S/C20H22N4O4/c1-20(2,3)28-16(25)11-21-19(26)17-15(9-10-24-13-22-23-18(17)24)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,26)
InChIKeyAZBYGANLQPQJIN-UHFFFAOYSA-N
XLogP2.38
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate with MolForge

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Related Compounds

tert-butyl 2-(8-phenylmethoxyimidazo[1,2-a]pyridin-5-yl)acetate
CID 155587102
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
tert-butyl 2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetate
CID 155587149
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
tert-butyl 2-[[4-[(2-phenylmethoxybenzoyl)amino]phenyl]sulfonylamino]acetate
CID 22456308
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
tert-butyl (2R)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate
CID 71275618
ethyl 2-[(2-methyl-5-phenylmethoxypyrimidine-4-carbonyl)amino]acetate
CID 163659293
benzyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 26262948
ethyl 2-[[5-(2-cyclohexa-2,4-dien-1-ylethynyl)-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetate
CID 67612163

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate?
The IUPAC name of tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate (CID 67615037) is tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate is CC(C)(C)OC(=O)CNC(=O)c1c(OCc2ccccc2)ccn2cnnc12.
What is the InChIKey of tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate?
The InChIKey is AZBYGANLQPQJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-20(2,3)28-16(25)11-21-19(26)17-15(9-10-24-13-22-23-18(17)24)27-12-14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H,21,26).
What are the key properties of tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate?
tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate has a molecular weight of 382.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(7-phenylmethoxy-[1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)amino]acetate is sourced from PubChem (CID 67615037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).