5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide

C15H23N5O — CID 107375956

IUPAC5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CC3CCCC(C2)N3C)cn1
InChIInChI=1S/C15H23N5O/c1-16-14-9-17-13(8-18-14)15(21)19-10-6-11-4-3-5-12(7-10)20(11)2/h8-12H,3-7H2,1-2H3,(H,16,18)(H,19,21)
InChIKeyCOOUEKRMJJBVKK-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds3

About 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide

5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide (PubChem CID 107375956) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide
PubChem CID107375956
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)NC2CC3CCCC(C2)N3C)cn1
InChIInChI=1S/C15H23N5O/c1-16-14-9-17-13(8-18-14)15(21)19-10-6-11-4-3-5-12(7-10)20(11)2/h8-12H,3-7H2,1-2H3,(H,16,18)(H,19,21)
InChIKeyCOOUEKRMJJBVKK-UHFFFAOYSA-N
XLogP1.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375423
N-(4,4-dimethylcyclohexyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375834
5-(methylamino)-N-(3-methylsulfanylcyclopentyl)pyrazine-2-carboxamide
CID 114124411
N-(2,2-dicyclopropylethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375993
5-hydroxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471648
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 65471480
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610346
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
4-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-pyrrole-2-carboxamide
CID 65470309

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide (CID 107375956) is 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide is CNc1cnc(C(=O)NC2CC3CCCC(C2)N3C)cn1.
What is the InChIKey of 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide?
The InChIKey is COOUEKRMJJBVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-16-14-9-17-13(8-18-14)15(21)19-10-6-11-4-3-5-12(7-10)20(11)2/h8-12H,3-7H2,1-2H3,(H,16,18)(H,19,21).
What are the key properties of 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide?
5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107375956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).