ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C17H16N4O4 — CID 58137767

IUPACethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(-c3ccc(NC(=O)OC)cc3)nnc12
InChIInChI=1S/C17H16N4O4/c1-3-25-16(22)13-5-4-10-21-14(19-20-15(13)21)11-6-8-12(9-7-11)18-17(23)24-2/h4-10H,3H2,1-2H3,(H,18,23)
InChIKeyGHFCAFKWQZVWPP-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.75
Rot. Bonds4

About ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 58137767) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID58137767
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Nameethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(-c3ccc(NC(=O)OC)cc3)nnc12
InChIInChI=1S/C17H16N4O4/c1-3-25-16(22)13-5-4-10-21-14(19-20-15(13)21)11-6-8-12(9-7-11)18-17(23)24-2/h4-10H,3H2,1-2H3,(H,18,23)
InChIKeyGHFCAFKWQZVWPP-UHFFFAOYSA-N
XLogP2.75
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate with MolForge

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Related Compounds

3-(4-fluorophenyl)-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46367491
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate
CID 102030693
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147661
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
2-methoxy-N-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)benzamide
CID 86763860
N-(2-methylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764731
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
CID 39982679
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396
ethyl 2-[[6-[(4-methylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127135
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 58208449

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 58137767) is ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2c(-c3ccc(NC(=O)OC)cc3)nnc12.
What is the InChIKey of ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is GHFCAFKWQZVWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-3-25-16(22)13-5-4-10-21-14(19-20-15(13)21)11-6-8-12(9-7-11)18-17(23)24-2/h4-10H,3H2,1-2H3,(H,18,23).
What are the key properties of ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 340.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 58137767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).