N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine

C17H20N4OS — CID 133431380

IUPACN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESCN(C)CCOc1cc(CNc2ccnc3ccsc23)ccn1
InChIInChI=1S/C17H20N4OS/c1-21(2)8-9-22-16-11-13(3-6-19-16)12-20-14-4-7-18-15-5-10-23-17(14)15/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyYICOCWRDLGIVCZ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.24
Rot. Bonds7

About N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine (PubChem CID 133431380) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
PubChem CID133431380
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
SMILESCN(C)CCOc1cc(CNc2ccnc3ccsc23)ccn1
InChIInChI=1S/C17H20N4OS/c1-21(2)8-9-22-16-11-13(3-6-19-16)12-20-14-4-7-18-15-5-10-23-17(14)15/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20)
InChIKeyYICOCWRDLGIVCZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine (CID 133431380) is N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine is CN(C)CCOc1cc(CNc2ccnc3ccsc23)ccn1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine?
The InChIKey is YICOCWRDLGIVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-21(2)8-9-22-16-11-13(3-6-19-16)12-20-14-4-7-18-15-5-10-23-17(14)15/h3-7,10-11H,8-9,12H2,1-2H3,(H,18,20).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine?
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine has a molecular weight of 328.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine is sourced from PubChem (CID 133431380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).