6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one

C14H19N3O2 — CID 107363150

IUPAC6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one
SMILESCN1C2CCC1CN(C(=O)c1cccc(=O)[nH]1)CC2
InChIInChI=1S/C14H19N3O2/c1-16-10-5-6-11(16)9-17(8-7-10)14(19)12-3-2-4-13(18)15-12/h2-4,10-11H,5-9H2,1H3,(H,15,18)
InChIKeyXCUUEKLKRRNSPV-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.68
Rot. Bonds1

About 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one

6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one (PubChem CID 107363150) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one
PubChem CID107363150
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one
SMILESCN1C2CCC1CN(C(=O)c1cccc(=O)[nH]1)CC2
InChIInChI=1S/C14H19N3O2/c1-16-10-5-6-11(16)9-17(8-7-10)14(19)12-3-2-4-13(18)15-12/h2-4,10-11H,5-9H2,1H3,(H,15,18)
InChIKeyXCUUEKLKRRNSPV-UHFFFAOYSA-N
XLogP0.68
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one (CID 107363150) is 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one is CN1C2CCC1CN(C(=O)c1cccc(=O)[nH]1)CC2.
What is the InChIKey of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one?
The InChIKey is XCUUEKLKRRNSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-10-5-6-11(16)9-17(8-7-10)14(19)12-3-2-4-13(18)15-12/h2-4,10-11H,5-9H2,1H3,(H,15,18).
What are the key properties of 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one?
6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 107363150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).