(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate

C17H19N3O2S — CID 69301770

IUPAC(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1cc(-c2cccnc2)cs1
InChIInChI=1S/C17H19N3O2S/c21-17(19-15-10-20-6-3-12(15)4-7-20)22-16-8-14(11-23-16)13-2-1-5-18-9-13/h1-2,5,8-9,11-12,15H,3-4,6-7,10H2,(H,19,21)
InChIKeyWYKSCUZSPOHNHW-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.99
Rot. Bonds3

About (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate

(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (PubChem CID 69301770) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.

Molecular Properties

Compound Name(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
PubChem CID69301770
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
SMILESO=C(NC1CN2CCC1CC2)Oc1cc(-c2cccnc2)cs1
InChIInChI=1S/C17H19N3O2S/c21-17(19-15-10-20-6-3-12(15)4-7-20)22-16-8-14(11-23-16)13-2-1-5-18-9-13/h1-2,5,8-9,11-12,15H,3-4,6-7,10H2,(H,19,21)
InChIKeyWYKSCUZSPOHNHW-UHFFFAOYSA-N
XLogP2.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiophen-2-yl N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69351700
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 23599499
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-3-ylthiophene-2-carboxamide
CID 10271460
(5-phenylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301942
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 23599504
N-(1-azabicyclo[2.2.2]octan-3-yl)furo[2,3-c]pyridine-2-carboxamide
CID 22047383
(5-pyridin-4-yl-2H-1,3-thiazol-3-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate
CID 69301999
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-pyridin-4-ylfuran-2-carboxamide
CID 23599456
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-cyanophenyl)thiophene-2-carboxamide
CID 70138519
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(3-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 10154517
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-(5-fluoro-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 18337413

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The IUPAC name of (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate (CID 69301770) is (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate.
What is the SMILES notation for (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The canonical SMILES for (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is O=C(NC1CN2CCC1CC2)Oc1cc(-c2cccnc2)cs1.
What is the InChIKey of (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
The InChIKey is WYKSCUZSPOHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-17(19-15-10-20-6-3-12(15)4-7-20)22-16-8-14(11-23-16)13-2-1-5-18-9-13/h1-2,5,8-9,11-12,15H,3-4,6-7,10H2,(H,19,21).
What are the key properties of (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate?
(4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate has a molecular weight of 329.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylthiophen-2-yl) N-(1-azabicyclo[2.2.2]octan-3-yl)carbamate is sourced from PubChem (CID 69301770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).