2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile

C19H15N3O3 — CID 856297

IUPAC2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22)
InChIKeyWQBPXJSWOBGZJK-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.29
Rot. Bonds3

About 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 856297) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID856297
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O
InChIInChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22)
InChIKeyWQBPXJSWOBGZJK-UHFFFAOYSA-N
XLogP3.29
TPSA112.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile (CID 856297) is 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O.
What is the InChIKey of 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is WQBPXJSWOBGZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-25-18-8-12(4-7-17(18)24)14-9-16(22-19(21)15(14)10-20)11-2-5-13(23)6-3-11/h2-9,23-24H,1H3,(H2,21,22).
What are the key properties of 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxy-3-methoxyphenyl)-6-(4-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 856297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).