5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one

C15H24N4O — CID 79175391

IUPAC5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one
SMILESCN1C2CCC1CN(CCn1cc(N)ccc1=O)CC2
InChIInChI=1S/C15H24N4O/c1-17-13-3-4-14(17)11-18(7-6-13)8-9-19-10-12(16)2-5-15(19)20/h2,5,10,13-14H,3-4,6-9,11,16H2,1H3
InChIKeyHWKGRWMUYNMPIH-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.60
Rot. Bonds3

About 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one

5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one (PubChem CID 79175391) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one
PubChem CID79175391
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one
SMILESCN1C2CCC1CN(CCn1cc(N)ccc1=O)CC2
InChIInChI=1S/C15H24N4O/c1-17-13-3-4-14(17)11-18(7-6-13)8-9-19-10-12(16)2-5-15(19)20/h2,5,10,13-14H,3-4,6-9,11,16H2,1H3
InChIKeyHWKGRWMUYNMPIH-UHFFFAOYSA-N
XLogP0.60
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one (CID 79175391) is 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one is CN1C2CCC1CN(CCn1cc(N)ccc1=O)CC2.
What is the InChIKey of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one?
The InChIKey is HWKGRWMUYNMPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-13-3-4-14(17)11-18(7-6-13)8-9-19-10-12(16)2-5-15(19)20/h2,5,10,13-14H,3-4,6-9,11,16H2,1H3.
What are the key properties of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one has a molecular weight of 276.38 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 79175391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).