5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile

C15H15N3O2 — CID 103469582

IUPAC5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
SMILESCCCOc1ccc(Oc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C15H15N3O2/c1-2-7-19-12-3-5-13(6-4-12)20-15-14(17)8-11(9-16)10-18-15/h3-6,8,10H,2,7,17H2,1H3
InChIKeyARUHWFBNKUQEFF-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.12
Rot. Bonds5

About 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile

5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 103469582) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
PubChem CID103469582
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile
SMILESCCCOc1ccc(Oc2ncc(C#N)cc2N)cc1
InChIInChI=1S/C15H15N3O2/c1-2-7-19-12-3-5-13(6-4-12)20-15-14(17)8-11(9-16)10-18-15/h3-6,8,10H,2,7,17H2,1H3
InChIKeyARUHWFBNKUQEFF-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

5-amino-6-(4-tert-butylphenoxy)pyridine-3-carbonitrile
CID 103469462
4-[(3-amino-5-methyl-2-pyridinyl)oxy]benzonitrile
CID 66280001
5-amino-6-(1-ethylpyrazol-4-yl)oxypyridine-3-carbonitrile
CID 103469812
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460
5-amino-6-(3-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469450
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carbonitrile
CID 103469680
5-amino-6-(4-bromo-3-fluorophenoxy)pyridine-3-carbonitrile
CID 103469739
5-amino-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine-3-carbonitrile
CID 103469823
5-amino-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridine-3-carbonitrile
CID 103469800
5-amino-6-(2-tert-butylphenoxy)pyridine-3-carbonitrile
CID 68530043
5-amino-6-(2-chloro-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469705
5-amino-6-(2-methoxy-4-methylphenoxy)pyridine-3-carbonitrile
CID 103469506

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile (CID 103469582) is 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile is CCCOc1ccc(Oc2ncc(C#N)cc2N)cc1.
What is the InChIKey of 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is ARUHWFBNKUQEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-7-19-12-3-5-13(6-4-12)20-15-14(17)8-11(9-16)10-18-15/h3-6,8,10H,2,7,17H2,1H3.
What are the key properties of 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile?
5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile 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 5-amino-6-(4-propoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 103469582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).