2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile

C14H15N3O — CID 171944017

IUPAC2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H15N3O/c15-8-9-2-1-5-16-13(9)14(18)10-6-11-3-4-12(7-10)17-11/h1-2,5,10-12,17H,3-4,6-7H2
InChIKeyWJVYMCXEFMYANO-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.67
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile

2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile (PubChem CID 171944017) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile
PubChem CID171944017
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1C(=O)C1CC2CCC(C1)N2
InChIInChI=1S/C14H15N3O/c15-8-9-2-1-5-16-13(9)14(18)10-6-11-3-4-12(7-10)17-11/h1-2,5,10-12,17H,3-4,6-7H2
InChIKeyWJVYMCXEFMYANO-UHFFFAOYSA-N
XLogP1.67
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(3-cyanopyridine-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171944030
9H-fluoren-9-ylmethyl 3-(3-cyanopyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171944020
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943513
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]pyridine-3-carbonitrile
CID 61232349
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
2-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-4,5-difluorobenzonitrile
CID 171939832
8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-bromo-N-methylpyridine-2-carboxamide
CID 107519919
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
2-cyclopropylpyridine-3-carbonitrile
CID 57440906

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile (CID 171944017) is 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile is N#Cc1cccnc1C(=O)C1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile?
The InChIKey is WJVYMCXEFMYANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-9-2-1-5-16-13(9)14(18)10-6-11-3-4-12(7-10)17-11/h1-2,5,10-12,17H,3-4,6-7H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile?
2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171944017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).