5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile

C14H13N3O2 — CID 103469506

IUPAC5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(C)ccc1Oc1ncc(C#N)cc1N
InChIInChI=1S/C14H13N3O2/c1-9-3-4-12(13(5-9)18-2)19-14-11(16)6-10(7-15)8-17-14/h3-6,8H,16H2,1-2H3
InChIKeyQLNKYVYKMUAFRE-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.64
Rot. Bonds3

About 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile

5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile (PubChem CID 103469506) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
PubChem CID103469506
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
SMILESCOc1cc(C)ccc1Oc1ncc(C#N)cc1N
InChIInChI=1S/C14H13N3O2/c1-9-3-4-12(13(5-9)18-2)19-14-11(16)6-10(7-15)8-17-14/h3-6,8H,16H2,1-2H3
InChIKeyQLNKYVYKMUAFRE-UHFFFAOYSA-N
XLogP2.64
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
4-(5-aminopyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 79915853
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
5-amino-6-(2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469664
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
CID 28890242
5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
2-(2-methoxy-4-methylphenoxy)pyrimidin-5-amine
CID 61146611
2-(4-cyano-2-methoxyphenoxy)-4-methylbenzonitrile
CID 62303478
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-3-amine
CID 107663853
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
CID 103469582

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile (CID 103469506) is 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile is COc1cc(C)ccc1Oc1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile?
The InChIKey is QLNKYVYKMUAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-3-4-12(13(5-9)18-2)19-14-11(16)6-10(7-15)8-17-14/h3-6,8H,16H2,1-2H3.
What are the key properties of 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile?
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).