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

C15H19N3O — CID 5298472

IUPAC5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C15H19N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12H,7-10H2,1-2H3
InChIKeyZZXIOJMLNQYIGB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.31
Rot. Bonds1

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

5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 5298472) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID5298472
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC12CN3CC(C)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C15H19N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12H,7-10H2,1-2H3
InChIKeyZZXIOJMLNQYIGB-UHFFFAOYSA-N
XLogP1.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 5298472) is 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC12CN3CC(C)(CN(C1)C3c1ccccn1)C2=O.
What is the InChIKey of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is ZZXIOJMLNQYIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 257.34 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 5298472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).