2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C19H17N3O3 — CID 856341

IUPAC2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C19H17N3O3/c1-3-24-18-8-12(5-6-16(18)23)13-9-15(17-7-4-11(2)25-17)22-19(21)14(13)10-20/h4-9,23H,3H2,1-2H3,(H2,21,22)
InChIKeyQGAAMKDVFACMSJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile

2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 856341) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID856341
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C19H17N3O3/c1-3-24-18-8-12(5-6-16(18)23)13-9-15(17-7-4-11(2)25-17)22-19(21)14(13)10-20/h4-9,23H,3H2,1-2H3,(H2,21,22)
InChIKeyQGAAMKDVFACMSJ-UHFFFAOYSA-N
XLogP3.88
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 856341) is 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile is CCOc1cc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)ccc1O.
What is the InChIKey of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is QGAAMKDVFACMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-3-24-18-8-12(5-6-16(18)23)13-9-15(17-7-4-11(2)25-17)22-19(21)14(13)10-20/h4-9,23H,3H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 335.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 856341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).