5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C17H23N3O — CID 909062

IUPAC5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(CC)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C17H23N3O/c1-3-16-9-19-11-17(4-2,15(16)21)12-20(10-16)14(19)13-7-5-6-8-18-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyYFPDZVGSQBLSKM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.09
Rot. Bonds3

About 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 909062) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID909062
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(CC)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C17H23N3O/c1-3-16-9-19-11-17(4-2,15(16)21)12-20(10-16)14(19)13-7-5-6-8-18-13/h5-8,14H,3-4,9-12H2,1-2H3
InChIKeyYFPDZVGSQBLSKM-UHFFFAOYSA-N
XLogP2.09
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 909062) is 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCC12CN3CC(CC)(CN(C1)C3c1ccccn1)C2=O.
What is the InChIKey of 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is YFPDZVGSQBLSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-16-9-19-11-17(4-2,15(16)21)12-20(10-16)14(19)13-7-5-6-8-18-13/h5-8,14H,3-4,9-12H2,1-2H3.
What are the key properties of 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 285.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 909062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).