N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C16H19N3O2S — CID 22277726

IUPACN-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC12CCCN(CC1)CC2)c1c[nH]c2ccsc2c1=O
InChIInChI=1S/C16H19N3O2S/c20-13-11(10-17-12-2-9-22-14(12)13)15(21)18-16-3-1-6-19(7-4-16)8-5-16/h2,9-10H,1,3-8H2,(H,17,20)(H,18,21)
InChIKeyHKCPVRSBUNJFOO-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.95
Rot. Bonds2

About N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 22277726) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID22277726
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NC12CCCN(CC1)CC2)c1c[nH]c2ccsc2c1=O
InChIInChI=1S/C16H19N3O2S/c20-13-11(10-17-12-2-9-22-14(12)13)15(21)18-16-3-1-6-19(7-4-16)8-5-16/h2,9-10H,1,3-8H2,(H,17,20)(H,18,21)
InChIKeyHKCPVRSBUNJFOO-UHFFFAOYSA-N
XLogP1.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 22277726) is N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(NC12CCCN(CC1)CC2)c1c[nH]c2ccsc2c1=O.
What is the InChIKey of N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is HKCPVRSBUNJFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-13-11(10-17-12-2-9-22-14(12)13)15(21)18-16-3-1-6-19(7-4-16)8-5-16/h2,9-10H,1,3-8H2,(H,17,20)(H,18,21).
What are the key properties of N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.2]nonan-5-yl)-7-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 22277726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).