2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile

C17H19N3O2 — CID 650901

IUPAC2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1cc(-c2ccc(O)c(OCC)c2)c(C#N)c(N)n1
InChIInChI=1S/C17H19N3O2/c1-3-5-12-9-13(14(10-18)17(19)20-12)11-6-7-15(21)16(8-11)22-4-2/h6-9,21H,3-5H2,1-2H3,(H2,19,20)
InChIKeyXOUGEAWFJJICQC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.26
Rot. Bonds5

About 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile

2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile (PubChem CID 650901) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile
PubChem CID650901
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile
SMILESCCCc1cc(-c2ccc(O)c(OCC)c2)c(C#N)c(N)n1
InChIInChI=1S/C17H19N3O2/c1-3-5-12-9-13(14(10-18)17(19)20-12)11-6-7-15(21)16(8-11)22-4-2/h6-9,21H,3-5H2,1-2H3,(H2,19,20)
InChIKeyXOUGEAWFJJICQC-UHFFFAOYSA-N
XLogP3.26
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile (CID 650901) is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile is CCCc1cc(-c2ccc(O)c(OCC)c2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile?
The InChIKey is XOUGEAWFJJICQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-5-12-9-13(14(10-18)17(19)20-12)11-6-7-15(21)16(8-11)22-4-2/h6-9,21H,3-5H2,1-2H3,(H2,19,20).
What are the key properties of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile?
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 650901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).