3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

C14H20ClN3 — CID 170569720

IUPAC3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1cnc(N2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C14H20ClN3/c1-9(2)12-6-16-14(5-13(12)15)18-7-10-3-4-11(8-18)17-10/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyFBXKRWFYFPXGPY-UHFFFAOYSA-N
MW265.79 g/mol
LogP2.80
Rot. Bonds2

About 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane

3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170569720) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
PubChem CID170569720
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)c1cnc(N2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C14H20ClN3/c1-9(2)12-6-16-14(5-13(12)15)18-7-10-3-4-11(8-18)17-10/h5-6,9-11,17H,3-4,7-8H2,1-2H3
InChIKeyFBXKRWFYFPXGPY-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane (CID 170569720) is 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is CC(C)c1cnc(N2CC3CCC(C2)N3)cc1Cl.
What is the InChIKey of 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FBXKRWFYFPXGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-9(2)12-6-16-14(5-13(12)15)18-7-10-3-4-11(8-18)17-10/h5-6,9-11,17H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane?
3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 265.79 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-propan-2-yl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170569720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).