6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C21H24ClN5O5S — CID 171553071

IUPAC6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2c1C
InChIInChI=1S/C21H24ClN5O5S/c1-4-31-16-11-14(22)12-23-20(16)32-15-5-6-17-24-18(26-27(17)13(15)2)19(28)25-21(3)7-9-33(29,30)10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,25,28)
InChIKeyLBELNDLYOCATPO-UHFFFAOYSA-N
MW493.97 g/mol
LogP2.97
Rot. Bonds6

About 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553071) has the molecular formula C21H24ClN5O5S and a molecular weight of 493.97 g/mol. Its IUPAC name is 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171553071
Molecular FormulaC21H24ClN5O5S
Molecular Weight493.97 g/mol
Exact Mass493.12
IUPAC Name6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2c1C
InChIInChI=1S/C21H24ClN5O5S/c1-4-31-16-11-14(22)12-23-20(16)32-15-5-6-17-24-18(26-27(17)13(15)2)19(28)25-21(3)7-9-33(29,30)10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,25,28)
InChIKeyLBELNDLYOCATPO-UHFFFAOYSA-N
XLogP2.97
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553071) is 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CCOc1cc(Cl)cnc1Oc1ccc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)nn2c1C.
What is the InChIKey of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is LBELNDLYOCATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O5S/c1-4-31-16-11-14(22)12-23-20(16)32-15-5-6-17-24-18(26-27(17)13(15)2)19(28)25-21(3)7-9-33(29,30)10-8-21/h5-6,11-12H,4,7-10H2,1-3H3,(H,25,28).
What are the key properties of 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 493.97 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).