3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile

C15H15N3O2 — CID 43262343

IUPAC3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
SMILESCCCOc1nc(Oc2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H15N3O2/c1-2-8-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(9-12)10-16/h3-7,9H,2,8,17H2,1H3
InChIKeyLXGMCVJNLIKPDI-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds5

About 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile

3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile (PubChem CID 43262343) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
PubChem CID43262343
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
SMILESCCCOc1nc(Oc2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H15N3O2/c1-2-8-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(9-12)10-16/h3-7,9H,2,8,17H2,1H3
InChIKeyLXGMCVJNLIKPDI-UHFFFAOYSA-N
XLogP3.12
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyphenoxy)-2-propoxypyridin-3-amine
CID 43262032
3-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]oxy]benzonitrile
CID 43262342
6-[3-(methoxymethyl)phenoxy]-2-propoxypyridin-3-amine
CID 63986940
2-ethoxy-6-(3-ethylphenoxy)pyridin-3-amine
CID 43262375
6-[(3-methoxyphenyl)methoxy]-2-propoxypyridin-3-amine
CID 43262377
6-(3-tert-butylphenoxy)-2-ethoxypyridin-3-amine
CID 43262593
6-methoxy-2-propoxypyridin-3-amine
CID 43261942
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
3-[(4-amino-6-chloro-2-pyridinyl)oxy]benzonitrile
CID 114070670
4-[(5-amino-6-propoxy-2-pyridinyl)amino]-3-chlorobenzonitrile
CID 107807065
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582
4-[(5-amino-6-propoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981083

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile (CID 43262343) is 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile is CCCOc1nc(Oc2cccc(C#N)c2)ccc1N.
What is the InChIKey of 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile?
The InChIKey is LXGMCVJNLIKPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-8-19-15-13(17)6-7-14(18-15)20-12-5-3-4-11(9-12)10-16/h3-7,9H,2,8,17H2,1H3.
What are the key properties of 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile?
3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile has a molecular weight of 269.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 43262343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).