2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile

C14H17N3O — CID 171691140

IUPAC2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
SMILESCOC1CC2CCC(C1)N2c1ncccc1C#N
InChIInChI=1S/C14H17N3O/c1-18-13-7-11-4-5-12(8-13)17(11)14-10(9-15)3-2-6-16-14/h2-3,6,11-13H,4-5,7-8H2,1H3
InChIKeyXQZQJTPQVWJTRH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds2

About 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile

2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile (PubChem CID 171691140) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
PubChem CID171691140
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile
SMILESCOC1CC2CCC(C1)N2c1ncccc1C#N
InChIInChI=1S/C14H17N3O/c1-18-13-7-11-4-5-12(8-13)17(11)14-10(9-15)3-2-6-16-14/h2-3,6,11-13H,4-5,7-8H2,1H3
InChIKeyXQZQJTPQVWJTRH-UHFFFAOYSA-N
XLogP2.10
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 128978159
2-[(5R)-2-(4-methoxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 58653579
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
3-methoxy-8-pyridin-4-yl-8-azabicyclo[3.2.1]octane
CID 122269072
2-[4-(3-methoxyphenyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 122136129
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312
2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 115644105
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-(4,4-dimethylazepan-1-yl)pyridine-3-carbonitrile
CID 65281203
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
CID 117045417
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-cyclopropylpyridine-3-carbonitrile
CID 57440906

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile (CID 171691140) is 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile is COC1CC2CCC(C1)N2c1ncccc1C#N.
What is the InChIKey of 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
The InChIKey is XQZQJTPQVWJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-13-7-11-4-5-12(8-13)17(11)14-10(9-15)3-2-6-16-14/h2-3,6,11-13H,4-5,7-8H2,1H3.
What are the key properties of 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile?
2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 171691140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).