7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene

C19H20N2 — CID 57486318

IUPAC7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(-c3ccccc3)c2)CC2CC1CCN2
InChIInChI=1S/C19H20N2/c1-2-4-15(5-3-1)17-10-18(13-20-12-17)16-8-14-6-7-21-19(9-14)11-16/h1-5,8,10,12-14,19,21H,6-7,9,11H2
InChIKeyVQMSIEXVMXSNBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.90
Rot. Bonds2

About 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene

7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene (PubChem CID 57486318) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene
PubChem CID57486318
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene
SMILESC1=C(c2cncc(-c3ccccc3)c2)CC2CC1CCN2
InChIInChI=1S/C19H20N2/c1-2-4-15(5-3-1)17-10-18(13-20-12-17)16-8-14-6-7-21-19(9-14)11-16/h1-5,8,10,12-14,19,21H,6-7,9,11H2
InChIKeyVQMSIEXVMXSNBR-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-propan-2-yloxy-3-pyridinyl)-6-azabicyclo[3.2.1]oct-2-ene;dihydrochloride
CID 57485764
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
(1S,5S)-3,7-diphenylbicyclo[3.3.1]nona-2,6-diene
CID 10923696
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
2-(5-phenyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane;hydrochloride
CID 45266048
(5-phenyl-3-pyridinyl)borinic acid
CID 143745833
3-phenyl-5-[2-[(2S)-pyrrolidin-2-yl]ethynyl]pyridine;3-phenyl-5-[2-[(2R)-pyrrolidin-2-yl]ethynyl]pyridine
CID 161474635
7-(5-phenylmethoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 71458997
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
3-phenyl-5-(1H-pyrazol-5-yl)pyridine
CID 90751414
(1S,5R)-7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71515118
7-[5-(2-methoxyphenoxy)-3-pyridinyl]-3-azabicyclo[3.3.1]non-6-ene
CID 71455355

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene (CID 57486318) is 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene is C1=C(c2cncc(-c3ccccc3)c2)CC2CC1CCN2.
What is the InChIKey of 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene?
The InChIKey is VQMSIEXVMXSNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-2-4-15(5-3-1)17-10-18(13-20-12-17)16-8-14-6-7-21-19(9-14)11-16/h1-5,8,10,12-14,19,21H,6-7,9,11H2.
What are the key properties of 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene?
7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene has a molecular weight of 276.38 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenyl-3-pyridinyl)-2-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 57486318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).