1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide

C16H23N3O — CID 108864998

IUPAC1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-15(2)7-13-8-16(3,10-15)11-19(13)14(20)18-12-5-4-6-17-9-12/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyALGSROAOOBWKPI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.51
Rot. Bonds1

About 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide

1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 108864998) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID108864998
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)Nc2cccnc2)C1
InChIInChI=1S/C16H23N3O/c1-15(2)7-13-8-16(3,10-15)11-19(13)14(20)18-12-5-4-6-17-9-12/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyALGSROAOOBWKPI-UHFFFAOYSA-N
XLogP3.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 108864998) is 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)Nc2cccnc2)C1.
What is the InChIKey of 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is ALGSROAOOBWKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-15(2)7-13-8-16(3,10-15)11-19(13)14(20)18-12-5-4-6-17-9-12/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide?
1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N-pyridin-3-yl-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 108864998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).