5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

C18H22N6O2 — CID 156610422

IUPAC5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)c2ccnn2C)cn1
InChIInChI=1S/C18H22N6O2/c1-11-9-20-15(10-19-11)17(25)22-12-7-13-3-4-14(8-12)24(13)18(26)16-5-6-21-23(16)2/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,22,25)
InChIKeyQQKCUOZPZSUFSM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.08
Rot. Bonds3

About 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (PubChem CID 156610422) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
PubChem CID156610422
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)c2ccnn2C)cn1
InChIInChI=1S/C18H22N6O2/c1-11-9-20-15(10-19-11)17(25)22-12-7-13-3-4-14(8-12)24(13)18(26)16-5-6-21-23(16)2/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,22,25)
InChIKeyQQKCUOZPZSUFSM-UHFFFAOYSA-N
XLogP1.08
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (CID 156610422) is 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)c2ccnn2C)cn1.
What is the InChIKey of 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The InChIKey is QQKCUOZPZSUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-9-20-15(10-19-11)17(25)22-12-7-13-3-4-14(8-12)24(13)18(26)16-5-6-21-23(16)2/h5-6,9-10,12-14H,3-4,7-8H2,1-2H3,(H,22,25).
What are the key properties of 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 156610422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).