2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C21H20N4OS — CID 166192685

IUPAC2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(Cc1ccc(OCc3cccnc3)cc1)C2
InChIInChI=1S/C21H20N4OS/c22-10-19-18-7-9-25(13-20(18)27-21(19)23)12-15-3-5-17(6-4-15)26-14-16-2-1-8-24-11-16/h1-6,8,11H,7,9,12-14,23H2
InChIKeyLDFDBFBPUIUEOR-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.73
Rot. Bonds5

About 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 166192685) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID166192685
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(Cc1ccc(OCc3cccnc3)cc1)C2
InChIInChI=1S/C21H20N4OS/c22-10-19-18-7-9-25(13-20(18)27-21(19)23)12-15-3-5-17(6-4-15)26-14-16-2-1-8-24-11-16/h1-6,8,11H,7,9,12-14,23H2
InChIKeyLDFDBFBPUIUEOR-UHFFFAOYSA-N
XLogP3.73
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 166192685) is 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(Cc1ccc(OCc3cccnc3)cc1)C2.
What is the InChIKey of 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is LDFDBFBPUIUEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c22-10-19-18-7-9-25(13-20(18)27-21(19)23)12-15-3-5-17(6-4-15)26-14-16-2-1-8-24-11-16/h1-6,8,11H,7,9,12-14,23H2.
What are the key properties of 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 376.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166192685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).