5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile

C14H13N3O3 — CID 60923806

IUPAC5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C14H13N3O3/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(7-15)3-10(16)8-17-14/h3-6,8H,16H2,1-2H3
InChIKeyDWHWFVIYYWPEHL-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.34
Rot. Bonds4

About 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile

5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 60923806) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
PubChem CID60923806
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(Oc2ncc(N)cc2C#N)c1
InChIInChI=1S/C14H13N3O3/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(7-15)3-10(16)8-17-14/h3-6,8H,16H2,1-2H3
InChIKeyDWHWFVIYYWPEHL-UHFFFAOYSA-N
XLogP2.34
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(3,5-dichlorophenoxy)pyridine-3-carbonitrile
CID 54861104
5-amino-2-phenoxypyridine-3-carbonitrile
CID 60923162
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
5-amino-2-(3-fluorophenoxy)pyridine-3-carbonitrile
CID 54861089
5-amino-2-(3-methylsulfonylphenoxy)pyridine-3-carbonitrile
CID 60924024
5-amino-2-(3-chloro-4-fluorophenoxy)pyridine-3-carbonitrile
CID 63878450
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
5-amino-2-(2,3-dichlorophenoxy)pyridine-3-carbonitrile
CID 54860994
5-amino-2-(5-fluoro-2-methylphenoxy)pyridine-3-carbonitrile
CID 102980272
5-amino-2-(2-fluoro-5-methylphenoxy)pyridine-3-carbonitrile
CID 64854984
3-chloro-2-(3,5-dimethoxyphenoxy)pyridine-4-carbonitrile
CID 107058963
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile (CID 60923806) is 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile is COc1cc(OC)cc(Oc2ncc(N)cc2C#N)c1.
What is the InChIKey of 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is DWHWFVIYYWPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-18-11-4-12(19-2)6-13(5-11)20-14-9(7-15)3-10(16)8-17-14/h3-6,8H,16H2,1-2H3.
What are the key properties of 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile?
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile has a molecular weight of 271.28 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 60923806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).