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

C14H11N3O2S — CID 50908126

IUPACmethyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cccnc3)cnc2c1N
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)13-11(15)12-10(20-13)5-9(7-17-12)8-3-2-4-16-6-8/h2-7H,15H2,1H3
InChIKeyZNBGYLAEBFSUED-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.73
Rot. Bonds2

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

methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50908126) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate
PubChem CID50908126
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Namemethyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cccnc3)cnc2c1N
InChIInChI=1S/C14H11N3O2S/c1-19-14(18)13-11(15)12-10(20-13)5-9(7-17-12)8-3-2-4-16-6-8/h2-7H,15H2,1H3
InChIKeyZNBGYLAEBFSUED-UHFFFAOYSA-N
XLogP2.73
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate (CID 50908126) is methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3cccnc3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is ZNBGYLAEBFSUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-19-14(18)13-11(15)12-10(20-13)5-9(7-17-12)8-3-2-4-16-6-8/h2-7H,15H2,1H3.
What are the key properties of methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 285.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-pyridin-3-ylthieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50908126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).