2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine

C15H15N3OS — CID 64829776

IUPAC2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
SMILESCOc1ncccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H15N3OS/c1-10(18-13-4-3-6-16-15(13)19-2)11-8-14-12(17-9-11)5-7-20-14/h3-10,18H,1-2H3
InChIKeyYHIYLXCVFNEJLT-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.87
Rot. Bonds4

About 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine

2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine (PubChem CID 64829776) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
PubChem CID64829776
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
SMILESCOc1ncccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C15H15N3OS/c1-10(18-13-4-3-6-16-15(13)19-2)11-8-14-12(17-9-11)5-7-20-14/h3-10,18H,1-2H3
InChIKeyYHIYLXCVFNEJLT-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine?
The IUPAC name of 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine (CID 64829776) is 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine is COc1ncccc1NC(C)c1cnc2ccsc2c1.
What is the InChIKey of 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine?
The InChIKey is YHIYLXCVFNEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10(18-13-4-3-6-16-15(13)19-2)11-8-14-12(17-9-11)5-7-20-14/h3-10,18H,1-2H3.
What are the key properties of 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine?
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine has a molecular weight of 285.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine is sourced from PubChem (CID 64829776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).