4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile

C14H18N4 — CID 63882762

IUPAC4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2C3CCC2CC(N)C3)ccn1
InChIInChI=1S/C14H18N4/c15-8-12-5-10(3-4-17-12)9-18-13-1-2-14(18)7-11(16)6-13/h3-5,11,13-14H,1-2,6-7,9,16H2
InChIKeyAFGAYDBQONXFME-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.41
Rot. Bonds2

About 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile

4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63882762) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile
PubChem CID63882762
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CN2C3CCC2CC(N)C3)ccn1
InChIInChI=1S/C14H18N4/c15-8-12-5-10(3-4-17-12)9-18-13-1-2-14(18)7-11(16)6-13/h3-5,11,13-14H,1-2,6-7,9,16H2
InChIKeyAFGAYDBQONXFME-UHFFFAOYSA-N
XLogP1.41
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(1R,5S)-3-amino-8-azabicyclo[3.2.1]octan-8-yl]methyl]benzonitrile
CID 67276098
4-[(3-aminopiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63882954
9-[(2-methoxy-4-pyridinyl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62992716
4-[(3,5-dimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63885183
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-[(4-chloro-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79256023
2-[1-[(2-cyano-4-pyridinyl)methyl]pyrrolidin-2-yl]acetic acid
CID 63881187
4-(1,3-dihydroisoindol-2-ylmethyl)pyridine-2-carbonitrile
CID 63885388
8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233276
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carbonitrile
CID 79932272
4-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 63886534
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)pyridine-2-carbonitrile
CID 63885765

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile (CID 63882762) is 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile is N#Cc1cc(CN2C3CCC2CC(N)C3)ccn1.
What is the InChIKey of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is AFGAYDBQONXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-8-12-5-10(3-4-17-12)9-18-13-1-2-14(18)7-11(16)6-13/h3-5,11,13-14H,1-2,6-7,9,16H2.
What are the key properties of 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile?
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).