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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Related Compounds

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(9S,13R)-4-chloro-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
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(6aR)-4-chloro-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
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(3R,4S)-4-(2,4-dichlorophenyl)-1-(pyridin-2-yl)pyrrolidin-3-amine
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N-(4-chloro-2-pyridyl)-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenyl-pyrimidin-4-amine
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3-(5-Chloro-2-pyridinyl)-8-[4-(4-fluorophenyl)butyl]-3,8-diazabicyclo[3.2.1]octane
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1-(4-Methylpyridin-2-yl)piperazine
CID 2760058
N-(3-chloro-4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
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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).