5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C19H27N3O — CID 6484297

IUPAC5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C19H27N3O/c1-13(2)18-9-21-11-19(14(3)4,17(18)23)12-22(10-18)16(21)15-7-5-6-8-20-15/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyCPOIBDQYGWMZJE-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.58
Rot. Bonds3

About 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 6484297) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID6484297
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccn1)C2=O
InChIInChI=1S/C19H27N3O/c1-13(2)18-9-21-11-19(14(3)4,17(18)23)12-22(10-18)16(21)15-7-5-6-8-20-15/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyCPOIBDQYGWMZJE-UHFFFAOYSA-N
XLogP2.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one with MolForge

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Related Compounds

1,3-Diazaadamantan-6-one, 5,7-dimethyl-2-(3-pyridyl)-
CID 535305
5,7-Diethyl-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.1(3,7)]decan-6-one
CID 909062
3,7-Dimethyl-2,4-di-pyridin-2-yl-3,7-diaza-bicyclo[3.3.1]nonan-9-one
CID 44278013
5,7-Dipropyl-2-(2-pyridinyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 666820
(1s,3s,5s)-1,3,5-Triazaadamantan-7-yl(pyridin-4-yl)methanone
CID 762630
(1r,5R,7S)-5,7-dimethyl-2-(pyridin-4-yl)-1,3-diazaadamantan-6-one
CID 3241395
(1S,5S,7R)-5-butyl-7-methyl-2-(pyridin-2-yl)-1,3-diazaadamantan-6-one
CID 4965773
5-Methyl-7-propyl-2-(2-pyridinyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 6484296
5,7-Diethyl-2-pyridin-3-yl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
CID 709452
5,7-Diisopropyl-2-pyridin-3-yl-1,3-diaza-tricyclo[3.3.1.1*3,7*]decan-6-one
CID 709454
5,7-diethyl-2-(1-ethyl-1H-indol-3-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 1508328
5,7-Dimethyl-2-(pyridin-2-yl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
CID 5298473

Frequently Asked Questions

What is the IUPAC name of 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 6484297) is 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccn1)C2=O.
What is the InChIKey of 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is CPOIBDQYGWMZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)18-9-21-11-19(14(3)4,17(18)23)12-22(10-18)16(21)15-7-5-6-8-20-15/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
5,7-di(propan-2-yl)-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 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-di(propan-2-yl)-2-pyridin-2-yl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 6484297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).