ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate

C15H13N3O2S — CID 753891

IUPACethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N
InChIInChI=1S/C15H13N3O2S/c1-2-20-15(19)13-12(16)10-5-6-11(18-14(10)21-13)9-4-3-7-17-8-9/h3-8H,2,16H2,1H3
InChIKeyFMJHSFKDRAECLG-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.12
Rot. Bonds3

About ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate

ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 753891) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
PubChem CID753891
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Nameethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N
InChIInChI=1S/C15H13N3O2S/c1-2-20-15(19)13-12(16)10-5-6-11(18-14(10)21-13)9-4-3-7-17-8-9/h3-8H,2,16H2,1H3
InChIKeyFMJHSFKDRAECLG-UHFFFAOYSA-N
XLogP3.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate (CID 753891) is ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N.
What is the InChIKey of ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is FMJHSFKDRAECLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-20-15(19)13-12(16)10-5-6-11(18-14(10)21-13)9-4-3-7-17-8-9/h3-8H,2,16H2,1H3.
What are the key properties of ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate?
ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 299.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 753891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).