ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate

C17H17N3O3S — CID 50985850

IUPACethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(OCc3cccnc3)cc(C)c2c1N
InChIInChI=1S/C17H17N3O3S/c1-3-22-17(21)15-14(18)13-10(2)7-12(20-16(13)24-15)23-9-11-5-4-6-19-8-11/h4-8H,3,9,18H2,1-2H3
InChIKeyIPRZDKJBCFSUGK-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.34
Rot. Bonds5

About ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 50985850) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID50985850
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Nameethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(OCc3cccnc3)cc(C)c2c1N
InChIInChI=1S/C17H17N3O3S/c1-3-22-17(21)15-14(18)13-10(2)7-12(20-16(13)24-15)23-9-11-5-4-6-19-8-11/h4-8H,3,9,18H2,1-2H3
InChIKeyIPRZDKJBCFSUGK-UHFFFAOYSA-N
XLogP3.34
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate (CID 50985850) is ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(OCc3cccnc3)cc(C)c2c1N.
What is the InChIKey of ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is IPRZDKJBCFSUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-22-17(21)15-14(18)13-10(2)7-12(20-16(13)24-15)23-9-11-5-4-6-19-8-11/h4-8H,3,9,18H2,1-2H3.
What are the key properties of ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-methyl-6-(pyridin-3-ylmethoxy)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 50985850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).