5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile

C14H13N3O2 — CID 62338626

IUPAC5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
SMILESCCOc1cccc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C14H13N3O2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-15)6-11(16)9-17-14/h3-7,9H,2,16H2,1H3
InChIKeyMOJKUFVATOZLER-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.73
Rot. Bonds4

About 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile

5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 62338626) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
PubChem CID62338626
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
SMILESCCOc1cccc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C14H13N3O2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-15)6-11(16)9-17-14/h3-7,9H,2,16H2,1H3
InChIKeyMOJKUFVATOZLER-UHFFFAOYSA-N
XLogP2.73
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 54861089
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 60924024
5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
2-(3-ethoxyphenoxy)benzonitrile
CID 62336711
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-(3-ethoxyphenoxy)-5-methylbenzonitrile
CID 107928195

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile (CID 62338626) is 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile is CCOc1cccc(Oc2ncc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is MOJKUFVATOZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-2-18-12-4-3-5-13(7-12)19-14-10(8-15)6-11(16)9-17-14/h3-7,9H,2,16H2,1H3.
What are the key properties of 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile?
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 62338626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).