6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

C19H22N6O2 — CID 70498117

IUPAC6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(NC(=O)c4ccncn4)(CC2)C3)n1
InChIInChI=1S/C19H22N6O2/c1-13-9-21-10-15(23-13)17(27)25-19-5-2-4-18(11-19,6-7-19)24-16(26)14-3-8-20-12-22-14/h3,8-10,12H,2,4-7,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyNPNWBEWNDULEJL-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.58
Rot. Bonds4

About 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide

6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (PubChem CID 70498117) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
PubChem CID70498117
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC23CCCC(NC(=O)c4ccncn4)(CC2)C3)n1
InChIInChI=1S/C19H22N6O2/c1-13-9-21-10-15(23-13)17(27)25-19-5-2-4-18(11-19,6-7-19)24-16(26)14-3-8-20-12-22-14/h3,8-10,12H,2,4-7,11H2,1H3,(H,24,26)(H,25,27)
InChIKeyNPNWBEWNDULEJL-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-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide (CID 70498117) is 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC23CCCC(NC(=O)c4ccncn4)(CC2)C3)n1.
What is the InChIKey of 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
The InChIKey is NPNWBEWNDULEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13-9-21-10-15(23-13)17(27)25-19-5-2-4-18(11-19,6-7-19)24-16(26)14-3-8-20-12-22-14/h3,8-10,12H,2,4-7,11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide?
6-methyl-N-[5-(pyrimidine-4-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-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide is sourced from PubChem (CID 70498117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).