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

C19H15N3O2 — CID 856248

IUPAC2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22)
InChIKeyMMTPAPVBJBBVEW-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.58
Rot. Bonds3

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

2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 856248) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID856248
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22)
InChIKeyMMTPAPVBJBBVEW-UHFFFAOYSA-N
XLogP3.58
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 856248) is 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is MMTPAPVBJBBVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-15-8-4-12(5-9-15)16-10-18(22-19(21)17(16)11-20)13-2-6-14(23)7-3-13/h2-10,23H,1H3,(H2,21,22).
What are the key properties of 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 317.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 856248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).