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

C19H22N6O2 — CID 57407036

IUPAC6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(NC(=O)c4ncccn4)(CC2)C3)n1
InChIInChI=1S/C19H22N6O2/c1-13-10-20-11-14(23-13)16(26)24-18-4-2-5-19(12-18,7-6-18)25-17(27)15-21-8-3-9-22-15/h3,8-11H,2,4-7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyHXBXKZNYNWIYJC-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.58
Rot. Bonds4

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

6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (PubChem CID 57407036) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
PubChem CID57407036
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(NC(=O)c4ncccn4)(CC2)C3)n1
InChIInChI=1S/C19H22N6O2/c1-13-10-20-11-14(23-13)16(26)24-18-4-2-5-19(12-18,7-6-18)25-17(27)15-21-8-3-9-22-15/h3,8-11H,2,4-7,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyHXBXKZNYNWIYJC-UHFFFAOYSA-N
XLogP1.58
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (CID 57407036) is 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC23CCCC(NC(=O)c4ncccn4)(CC2)C3)n1.
What is the InChIKey of 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The InChIKey is HXBXKZNYNWIYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-10-20-11-14(23-13)16(26)24-18-4-2-5-19(12-18,7-6-18)25-17(27)15-21-8-3-9-22-15/h3,8-11H,2,4-7,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 57407036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).