N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide

C25H29N3O2S — CID 10224963

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)sc2ncccc12
InChIInChI=1S/C25H29N3O2S/c1-16(2)30-22-21-9-6-12-26-25(21)31-23(22)24(29)27-18-13-19-10-11-20(14-18)28(19)15-17-7-4-3-5-8-17/h3-9,12,16,18-20H,10-11,13-15H2,1-2H3,(H,27,29)
InChIKeyXSEZPISDLCHQQM-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.01
Rot. Bonds6

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (PubChem CID 10224963) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
PubChem CID10224963
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)sc2ncccc12
InChIInChI=1S/C25H29N3O2S/c1-16(2)30-22-21-9-6-12-26-25(21)31-23(22)24(29)27-18-13-19-10-11-20(14-18)28(19)15-17-7-4-3-5-8-17/h3-9,12,16,18-20H,10-11,13-15H2,1-2H3,(H,27,29)
InChIKeyXSEZPISDLCHQQM-UHFFFAOYSA-N
XLogP5.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide (CID 10224963) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is CC(C)Oc1c(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)sc2ncccc12.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XSEZPISDLCHQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-16(2)30-22-21-9-6-12-26-25(21)31-23(22)24(29)27-18-13-19-10-11-20(14-18)28(19)15-17-7-4-3-5-8-17/h3-9,12,16,18-20H,10-11,13-15H2,1-2H3,(H,27,29).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 435.59 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-propan-2-yloxythieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 10224963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).