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

C19H27N3O — CID 666820

IUPAC5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C19H27N3O/c1-3-8-18-11-21-13-19(9-4-2,17(18)23)14-22(12-18)16(21)15-7-5-6-10-20-15/h5-7,10,16H,3-4,8-9,11-14H2,1-2H3
InChIKeyZOOJXOYUCLIFLM-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.87
Rot. Bonds5

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

5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 666820) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID666820
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C19H27N3O/c1-3-8-18-11-21-13-19(9-4-2,17(18)23)14-22(12-18)16(21)15-7-5-6-10-20-15/h5-7,10,16H,3-4,8-9,11-14H2,1-2H3
InChIKeyZOOJXOYUCLIFLM-UHFFFAOYSA-N
XLogP2.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 666820) is 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O.
What is the InChIKey of 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is ZOOJXOYUCLIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-3-8-18-11-21-13-19(9-4-2,17(18)23)14-22(12-18)16(21)15-7-5-6-10-20-15/h5-7,10,16H,3-4,8-9,11-14H2,1-2H3.
What are the key properties of 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 313.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dipropyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 666820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).