3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile

C17H19N3O — CID 62893783

IUPAC3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCC(N)Cc1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C17H19N3O/c1-2-15(19)10-13-6-3-4-8-17(13)21-12-14-7-5-9-20-16(14)11-18/h3-9,15H,2,10,12,19H2,1H3
InChIKeyKZJNHSJDKGMHMM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.81
Rot. Bonds6

About 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile

3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 62893783) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID62893783
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile
SMILESCCC(N)Cc1ccccc1OCc1cccnc1C#N
InChIInChI=1S/C17H19N3O/c1-2-15(19)10-13-6-3-4-8-17(13)21-12-14-7-5-9-20-16(14)11-18/h3-9,15H,2,10,12,19H2,1H3
InChIKeyKZJNHSJDKGMHMM-UHFFFAOYSA-N
XLogP2.81
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(1S)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63364338
3-[[2-(propylaminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62888578
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carbonitrile
CID 62920098
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[[2-[1-(methylamino)ethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 62895682
3-[[2-(aminomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55205880
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135
3-(2-aminobutylsulfonylmethyl)pyridine-2-carbonitrile
CID 81195973
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
3-[[2-(bromomethyl)-4-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 55200531

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile (CID 62893783) is 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile is CCC(N)Cc1ccccc1OCc1cccnc1C#N.
What is the InChIKey of 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is KZJNHSJDKGMHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-15(19)10-13-6-3-4-8-17(13)21-12-14-7-5-9-20-16(14)11-18/h3-9,15H,2,10,12,19H2,1H3.
What are the key properties of 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile?
3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-aminobutyl)phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).