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

C20H23N5O2 — CID 70497414

IUPAC6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(C(=O)Nc4ccccn4)(CC2)C3)n1
InChIInChI=1S/C20H23N5O2/c1-14-11-21-12-15(23-14)17(26)25-20-7-4-6-19(13-20,8-9-20)18(27)24-16-5-2-3-10-22-16/h2-3,5,10-12H,4,6-9,13H2,1H3,(H,25,26)(H,22,24,27)
InChIKeyGAGWAKAREDTKLB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.64
Rot. Bonds4

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

6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (PubChem CID 70497414) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
PubChem CID70497414
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(C(=O)Nc4ccccn4)(CC2)C3)n1
InChIInChI=1S/C20H23N5O2/c1-14-11-21-12-15(23-14)17(26)25-20-7-4-6-19(13-20,8-9-20)18(27)24-16-5-2-3-10-22-16/h2-3,5,10-12H,4,6-9,13H2,1H3,(H,25,26)(H,22,24,27)
InChIKeyGAGWAKAREDTKLB-UHFFFAOYSA-N
XLogP2.64
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (CID 70497414) is 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC23CCCC(C(=O)Nc4ccccn4)(CC2)C3)n1.
What is the InChIKey of 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The InChIKey is GAGWAKAREDTKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-11-21-12-15(23-14)17(26)25-20-7-4-6-19(13-20,8-9-20)18(27)24-16-5-2-3-10-22-16/h2-3,5,10-12H,4,6-9,13H2,1H3,(H,25,26)(H,22,24,27).
What are the key properties of 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).