3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

C13H19N3 — CID 115314677

IUPAC3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1ccc(N2CCC3CCC(C2)N3)nc1
InChIInChI=1S/C13H19N3/c1-10-2-5-13(14-8-10)16-7-6-11-3-4-12(9-16)15-11/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3
InChIKeyUUDJMLQPCXOMJO-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.72
Rot. Bonds1

About 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane

3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 115314677) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
PubChem CID115314677
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
SMILESCc1ccc(N2CCC3CCC(C2)N3)nc1
InChIInChI=1S/C13H19N3/c1-10-2-5-13(14-8-10)16-7-6-11-3-4-12(9-16)15-11/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3
InChIKeyUUDJMLQPCXOMJO-UHFFFAOYSA-N
XLogP1.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-3-(5-methyl-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane
CID 59535791
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
CID 115314754
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
(3S)-3-methyl-1-(5-methyl-2-pyridinyl)piperazine
CID 94450647
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
(2R)-2,6-dimethyl-4-(5-methyl-2-pyridinyl)morpholine
CID 143577570
2-[3-(chloromethyl)piperidin-1-yl]-5-methylpyridine
CID 63392190
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(1S,6R)-3-(6-chloro-3-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane
CID 87827418
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
3-(5-chloro-2-pyridinyl)-3,9-diazabicyclo[3.3.1]nonane
CID 24752287

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane (CID 115314677) is 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is Cc1ccc(N2CCC3CCC(C2)N3)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is UUDJMLQPCXOMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10-2-5-13(14-8-10)16-7-6-11-3-4-12(9-16)15-11/h2,5,8,11-12,15H,3-4,6-7,9H2,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane?
3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 217.32 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 115314677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).