6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane

C13H18N2 — CID 57485543

IUPAC6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
SMILESc1cncc(C2CCC3CNCC2C3)c1
InChIInChI=1S/C13H18N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,5,8,10,12-13,15H,3-4,6-7,9H2
InChIKeyPTCLMVZRJLVLSJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.18
Rot. Bonds1

About 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane

6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane (PubChem CID 57485543) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
PubChem CID57485543
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
SMILESc1cncc(C2CCC3CNCC2C3)c1
InChIInChI=1S/C13H18N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,5,8,10,12-13,15H,3-4,6-7,9H2
InChIKeyPTCLMVZRJLVLSJ-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
CID 57485542
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493270
3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269
3-(2-bromocyclobutyl)pyridine
CID 142785630
3-(2-methylcyclobutyl)pyridine
CID 174716389
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
3-pyrrolidin-3-ylpyridine
CID 3613651
3,7-diazabicyclo[3.3.1]nonan-3-yl-(6-pyridin-3-ylcyclohex-3-en-1-yl)methanone
CID 58201413
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
CID 71522236

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane?
The IUPAC name of 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane (CID 57485543) is 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane is c1cncc(C2CCC3CNCC2C3)c1.
What is the InChIKey of 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane?
The InChIKey is PTCLMVZRJLVLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-11(8-14-5-1)13-4-3-10-6-12(13)9-15-7-10/h1-2,5,8,10,12-13,15H,3-4,6-7,9H2.
What are the key properties of 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane?
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane has a molecular weight of 202.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 57485543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).