3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile

C16H17N3O — CID 107663742

IUPAC3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
SMILESCCC(C)c1ccc(Oc2nccc(C#N)c2N)cc1
InChIInChI=1S/C16H17N3O/c1-3-11(2)12-4-6-14(7-5-12)20-16-15(18)13(10-17)8-9-19-16/h4-9,11H,3,18H2,1-2H3
InChIKeyVILYQIQMBCZQON-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.84
Rot. Bonds4

About 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile

3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile (PubChem CID 107663742) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
PubChem CID107663742
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
SMILESCCC(C)c1ccc(Oc2nccc(C#N)c2N)cc1
InChIInChI=1S/C16H17N3O/c1-3-11(2)12-4-6-14(7-5-12)20-16-15(18)13(10-17)8-9-19-16/h4-9,11H,3,18H2,1-2H3
InChIKeyVILYQIQMBCZQON-UHFFFAOYSA-N
XLogP3.84
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
CID 82813718
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
4-(4-butan-2-ylphenoxy)pyridine-2-carbonitrile
CID 107664726
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
CID 103282880
2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
CID 94830267
3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
CID 82812989
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
2-(4-butan-2-ylphenoxy)pyridine-3-carboximidamide
CID 107665100
[2-(4-butan-2-ylphenoxy)pyrimidin-5-yl]methanamine
CID 107666701
2-(4-butan-2-ylphenoxy)-6-chloropyridine-4-carbonitrile
CID 107664549

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile (CID 107663742) is 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile is CCC(C)c1ccc(Oc2nccc(C#N)c2N)cc1.
What is the InChIKey of 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile?
The InChIKey is VILYQIQMBCZQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-3-11(2)12-4-6-14(7-5-12)20-16-15(18)13(10-17)8-9-19-16/h4-9,11H,3,18H2,1-2H3.
What are the key properties of 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile?
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 107663742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).