2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

C20H17N3O3 — CID 135496405

IUPAC2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3O)nc(N)c2C#N)c1
InChIInChI=1S/C20H17N3O3/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(23-20(22)16(14)11-21)13-5-3-4-6-18(13)24/h3-10,24H,1-2H3,(H2,22,23)
InChIKeyRVSKBVYIVWSEBK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.59
Rot. Bonds4

About 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile

2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (PubChem CID 135496405) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
PubChem CID135496405
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3O)nc(N)c2C#N)c1
InChIInChI=1S/C20H17N3O3/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(23-20(22)16(14)11-21)13-5-3-4-6-18(13)24/h3-10,24H,1-2H3,(H2,22,23)
InChIKeyRVSKBVYIVWSEBK-UHFFFAOYSA-N
XLogP3.59
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
2-amino-4-(4-cyanophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3554219
2-amino-6-(2,5-dimethoxyphenyl)-4-(3-fluorophenyl)pyridine-3-carbonitrile
CID 3548331
2-amino-6-(4-hydroxyphenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 856314
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-4-(2,5-dimethoxyphenyl)-6-(4-propylphenyl)pyridine-3-carbonitrile
CID 5088045
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5119568
2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-amino-6-phenyl-4-(2,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3353886
2-amino-6-(2-bromophenyl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5117892
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile (CID 135496405) is 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cc(-c3ccccc3O)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
The InChIKey is RVSKBVYIVWSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-12-7-8-19(26-2)15(9-12)14-10-17(23-20(22)16(14)11-21)13-5-3-4-6-18(13)24/h3-10,24H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile?
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135496405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).