2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile

C20H22N4 — CID 70785562

IUPAC2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1
InChIInChI=1S/C20H22N4/c21-11-17-8-9-22-20(10-17)24-14-18-6-7-19(15-24)23(13-18)12-16-4-2-1-3-5-16/h1-5,8-10,18-19H,6-7,12-15H2/t18-,19-/m1/s1
InChIKeyDREGJQSGEJJJAF-RTBURBONSA-N
MW318.42 g/mol
LogP3.05
Rot. Bonds3

About 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile

2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile (PubChem CID 70785562) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile
PubChem CID70785562
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1
InChIInChI=1S/C20H22N4/c21-11-17-8-9-22-20(10-17)24-14-18-6-7-19(15-24)23(13-18)12-16-4-2-1-3-5-16/h1-5,8-10,18-19H,6-7,12-15H2/t18-,19-/m1/s1
InChIKeyDREGJQSGEJJJAF-RTBURBONSA-N
XLogP3.05
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

6-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyrimidine-2,4-diamine
CID 70726513
2-(5-benzylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-4-carbonitrile
CID 154853603
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
3-[[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]benzonitrile
CID 133109786
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
CID 133121148
2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56756919
(2-amino-4-pyridinyl)-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72866577
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
2-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133132602
(1S,5R)-6-benzyl-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 70723250
(1S,5R)-6-benzyl-3-[(1-methylimidazol-2-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70725089

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile (CID 70785562) is 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1.
What is the InChIKey of 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile?
The InChIKey is DREGJQSGEJJJAF-RTBURBONSA-N. The full InChI is InChI=1S/C20H22N4/c21-11-17-8-9-22-20(10-17)24-14-18-6-7-19(15-24)23(13-18)12-16-4-2-1-3-5-16/h1-5,8-10,18-19H,6-7,12-15H2/t18-,19-/m1/s1.
What are the key properties of 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile?
2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile has a molecular weight of 318.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 70785562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).