3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile

C16H17N3O — CID 82813718

IUPAC3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
SMILESCCCCc1ccc(Oc2nccc(C#N)c2N)cc1
InChIInChI=1S/C16H17N3O/c1-2-3-4-12-5-7-14(8-6-12)20-16-15(18)13(11-17)9-10-19-16/h5-10H,2-4,18H2,1H3
InChIKeyPHLQUYOQZXSPAP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.67
Rot. Bonds5

About 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile

3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile (PubChem CID 82813718) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
PubChem CID82813718
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile
SMILESCCCCc1ccc(Oc2nccc(C#N)c2N)cc1
InChIInChI=1S/C16H17N3O/c1-2-3-4-12-5-7-14(8-6-12)20-16-15(18)13(11-17)9-10-19-16/h5-10H,2-4,18H2,1H3
InChIKeyPHLQUYOQZXSPAP-UHFFFAOYSA-N
XLogP3.67
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
3-amino-2-(4-methylsulfanylphenoxy)pyridine-4-carbonitrile
CID 82813947
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
3-bromo-2-(4-butylphenoxy)pyridine
CID 115493013
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232
3-(4-butylphenoxy)pyrazine-2-carboxylic acid
CID 115493465
2-(4-butylphenoxy)-4-methylpyridine-3-carboxylic acid
CID 115493466
4-bromo-2-(4-butylphenoxy)benzonitrile
CID 114902523
3-amino-2-(2-methylpentoxy)pyridine-4-carbonitrile
CID 103282880
3-amino-2-(3-iodophenoxy)pyridine-4-carbonitrile
CID 82812989
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile (CID 82813718) is 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile is CCCCc1ccc(Oc2nccc(C#N)c2N)cc1.
What is the InChIKey of 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile?
The InChIKey is PHLQUYOQZXSPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-3-4-12-5-7-14(8-6-12)20-16-15(18)13(11-17)9-10-19-16/h5-10H,2-4,18H2,1H3.
What are the key properties of 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile?
3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-butylphenoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 82813718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).