4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile

C17H19N3O — CID 115940162

IUPAC4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCCC(N)c1ccc(Oc2c(C)cc(C#N)cc2C)cn1
InChIInChI=1S/C17H19N3O/c1-4-15(19)16-6-5-14(10-20-16)21-17-11(2)7-13(9-18)8-12(17)3/h5-8,10,15H,4,19H2,1-3H3
InChIKeyRBTKJZSLJXDNAZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.77
Rot. Bonds4

About 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile

4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile (PubChem CID 115940162) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile.

Molecular Properties

Compound Name4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
PubChem CID115940162
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
SMILESCCC(N)c1ccc(Oc2c(C)cc(C#N)cc2C)cn1
InChIInChI=1S/C17H19N3O/c1-4-15(19)16-6-5-14(10-20-16)21-17-11(2)7-13(9-18)8-12(17)3/h5-8,10,15H,4,19H2,1-3H3
InChIKeyRBTKJZSLJXDNAZ-UHFFFAOYSA-N
XLogP3.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 83125700
(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937754
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1R)-1-[5-(2-methyl-5-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937883
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
4-[2-(1-aminopropyl)phenoxy]-3,5-dimethylbenzonitrile
CID 115995713
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
(1S)-1-[5-(2-methyl-6-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 103938047
1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940525
4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103937312
(1S)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 103938021

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The IUPAC name of 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile (CID 115940162) is 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile.
What is the SMILES notation for 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The canonical SMILES for 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile is CCC(N)c1ccc(Oc2c(C)cc(C#N)cc2C)cn1.
What is the InChIKey of 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
The InChIKey is RBTKJZSLJXDNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-15(19)16-6-5-14(10-20-16)21-17-11(2)7-13(9-18)8-12(17)3/h5-8,10,15H,4,19H2,1-3H3.
What are the key properties of 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile?
4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile has a molecular weight of 281.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1-aminopropyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile is sourced from PubChem (CID 115940162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).