2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

C25H27N3O — CID 5230485

IUPAC2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1
InChIInChI=1S/C25H27N3O/c1-3-4-5-8-15-29-20-13-11-19(12-14-20)22-16-24(28-25(27)23(22)17-26)21-10-7-6-9-18(21)2/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H2,27,28)
InChIKeyJSCDQSVNMOGBJZ-UHFFFAOYSA-N
MW385.51 g/mol
LogP6.14
Rot. Bonds8

About 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5230485) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
PubChem CID5230485
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1
InChIInChI=1S/C25H27N3O/c1-3-4-5-8-15-29-20-13-11-19(12-14-20)22-16-24(28-25(27)23(22)17-26)21-10-7-6-9-18(21)2/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H2,27,28)
InChIKeyJSCDQSVNMOGBJZ-UHFFFAOYSA-N
XLogP6.14
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5230351
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2,4-diamino-6-(4-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169396287
2-amino-4-(3-fluorophenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230179
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-6-(4-ethoxyphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5153880
2-amino-6-(4-ethoxyphenyl)-4-(4-ethylphenyl)pyridine-3-carbonitrile
CID 5153870
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (CID 5230485) is 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is CCCCCCOc1ccc(-c2cc(-c3ccccc3C)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is JSCDQSVNMOGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-3-4-5-8-15-29-20-13-11-19(12-14-20)22-16-24(28-25(27)23(22)17-26)21-10-7-6-9-18(21)2/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H2,27,28).
What are the key properties of 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 385.51 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).