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

C15H22N4O2 — CID 79165592

IUPAC5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one
SMILESCN1C2CCC1CN(C(=O)Cn1cc(N)ccc1=O)CC2
InChIInChI=1S/C15H22N4O2/c1-17-12-3-4-13(17)9-18(7-6-12)15(21)10-19-8-11(16)2-5-14(19)20/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3
InChIKeyXNNFGGDBMAGOAQ-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.13
Rot. Bonds2

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

5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 79165592) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID79165592
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one
SMILESCN1C2CCC1CN(C(=O)Cn1cc(N)ccc1=O)CC2
InChIInChI=1S/C15H22N4O2/c1-17-12-3-4-13(17)9-18(7-6-12)15(21)10-19-8-11(16)2-5-14(19)20/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3
InChIKeyXNNFGGDBMAGOAQ-UHFFFAOYSA-N
XLogP0.13
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.13
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)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one (CID 79165592) is 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one is CN1C2CCC1CN(C(=O)Cn1cc(N)ccc1=O)CC2.
What is the InChIKey of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is XNNFGGDBMAGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-12-3-4-13(17)9-18(7-6-12)15(21)10-19-8-11(16)2-5-14(19)20/h2,5,8,12-13H,3-4,6-7,9-10,16H2,1H3.
What are the key properties of 5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 290.37 g/mol, XLogP of 0.13, 2 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)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 79165592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).