N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide

C19H19N3O2S — CID 166295647

IUPACN-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(OC2CCNCC2)cc1)c1ccnc2ccsc12
InChIInChI=1S/C19H19N3O2S/c23-19(16-7-11-21-17-8-12-25-18(16)17)22-13-1-3-14(4-2-13)24-15-5-9-20-10-6-15/h1-4,7-8,11-12,15,20H,5-6,9-10H2,(H,22,23)
InChIKeyLHDNGEFXOLYFIU-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.68
Rot. Bonds4

About N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide

N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide (PubChem CID 166295647) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide
PubChem CID166295647
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(OC2CCNCC2)cc1)c1ccnc2ccsc12
InChIInChI=1S/C19H19N3O2S/c23-19(16-7-11-21-17-8-12-25-18(16)17)22-13-1-3-14(4-2-13)24-15-5-9-20-10-6-15/h1-4,7-8,11-12,15,20H,5-6,9-10H2,(H,22,23)
InChIKeyLHDNGEFXOLYFIU-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide?
The IUPAC name of N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide (CID 166295647) is N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide.
What is the SMILES notation for N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide?
The canonical SMILES for N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide is O=C(Nc1ccc(OC2CCNCC2)cc1)c1ccnc2ccsc12.
What is the InChIKey of N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide?
The InChIKey is LHDNGEFXOLYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-19(16-7-11-21-17-8-12-25-18(16)17)22-13-1-3-14(4-2-13)24-15-5-9-20-10-6-15/h1-4,7-8,11-12,15,20H,5-6,9-10H2,(H,22,23).
What are the key properties of N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide?
N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-4-yloxyphenyl)thieno[3,2-b]pyridine-7-carboxamide is sourced from PubChem (CID 166295647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).