N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide

C15H16BrN3OS — CID 22389139

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc2c(Br)csc2cn1
InChIInChI=1S/C15H16BrN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)
InChIKeyDEZMKRHGKHNOBY-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.88
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide (PubChem CID 22389139) has the molecular formula C15H16BrN3OS and a molecular weight of 366.28 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide
PubChem CID22389139
Molecular FormulaC15H16BrN3OS
Molecular Weight366.28 g/mol
Exact Mass365.02
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1cc2c(Br)csc2cn1
InChIInChI=1S/C15H16BrN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20)
InChIKeyDEZMKRHGKHNOBY-UHFFFAOYSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide (CID 22389139) is N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide is O=C(NC1CC2CCN(C2)C1)c1cc2c(Br)csc2cn1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide?
The InChIKey is DEZMKRHGKHNOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3OS/c16-12-8-21-14-5-17-13(4-11(12)14)15(20)18-10-3-9-1-2-19(6-9)7-10/h4-5,8-10H,1-3,6-7H2,(H,18,20).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 366.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-3-bromothieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 22389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).