2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile

C19H19N3O — CID 53321331

IUPAC2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile
SMILESN#Cc1cc(OC2C[C@H]3CC[C@@H](C2)N3)nc(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17?
InChIKeyNRKLSKYRBUUDLU-SJPCQFCGSA-N
MW305.38 g/mol
LogP3.28
Rot. Bonds3

About 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile

2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile (PubChem CID 53321331) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile
PubChem CID53321331
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile
SMILESN#Cc1cc(OC2C[C@H]3CC[C@@H](C2)N3)nc(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17?
InChIKeyNRKLSKYRBUUDLU-SJPCQFCGSA-N
XLogP3.28
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile?
The IUPAC name of 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile (CID 53321331) is 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile?
The canonical SMILES for 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile is N#Cc1cc(OC2C[C@H]3CC[C@@H](C2)N3)nc(-c2ccccc2)c1.
What is the InChIKey of 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile?
The InChIKey is NRKLSKYRBUUDLU-SJPCQFCGSA-N. The full InChI is InChI=1S/C19H19N3O/c20-12-13-8-18(14-4-2-1-3-5-14)22-19(9-13)23-17-10-15-6-7-16(11-17)21-15/h1-5,8-9,15-17,21H,6-7,10-11H2/t15-,16+,17?.
What are the key properties of 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile?
2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-6-phenylpyridine-4-carbonitrile is sourced from PubChem (CID 53321331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).