6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

C21H24N4O2 — CID 147325250

IUPAC6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(CC(=O)c4cccnc4)(CC2)C3)n1
InChIInChI=1S/C21H24N4O2/c1-15-11-23-13-17(24-15)19(27)25-21-6-3-5-20(14-21,7-8-21)10-18(26)16-4-2-9-22-12-16/h2,4,9,11-13H,3,5-8,10,14H2,1H3,(H,25,27)
InChIKeyDAOYJUIYFATLAD-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds5

About 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (PubChem CID 147325250) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
PubChem CID147325250
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(CC(=O)c4cccnc4)(CC2)C3)n1
InChIInChI=1S/C21H24N4O2/c1-15-11-23-13-17(24-15)19(27)25-21-6-3-5-20(14-21,7-8-21)10-18(26)16-4-2-9-22-12-16/h2,4,9,11-13H,3,5-8,10,14H2,1H3,(H,25,27)
InChIKeyDAOYJUIYFATLAD-UHFFFAOYSA-N
XLogP3.28
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (CID 147325250) is 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC23CCCC(CC(=O)c4cccnc4)(CC2)C3)n1.
What is the InChIKey of 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The InChIKey is DAOYJUIYFATLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-23-13-17(24-15)19(27)25-21-6-3-5-20(14-21,7-8-21)10-18(26)16-4-2-9-22-12-16/h2,4,9,11-13H,3,5-8,10,14H2,1H3,(H,25,27).
What are the key properties of 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 147325250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).