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

C26H29N3O2 — CID 5241329

IUPAC2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(OCC)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C26H29N3O2/c1-3-5-6-7-16-31-22-12-8-19(9-13-22)23-17-25(29-26(28)24(23)18-27)20-10-14-21(15-11-20)30-4-2/h8-15,17H,3-7,16H2,1-2H3,(H2,28,29)
InChIKeyLIQMRFGFXDHNFC-UHFFFAOYSA-N
MW415.54 g/mol
LogP6.23
Rot. Bonds10

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

2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile (PubChem CID 5241329) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
PubChem CID5241329
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(OCC)cc3)nc(N)c2C#N)cc1
InChIInChI=1S/C26H29N3O2/c1-3-5-6-7-16-31-22-12-8-19(9-13-22)23-17-25(29-26(28)24(23)18-27)20-10-14-21(15-11-20)30-4-2/h8-15,17H,3-7,16H2,1-2H3,(H2,28,29)
InChIKeyLIQMRFGFXDHNFC-UHFFFAOYSA-N
XLogP6.23
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
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-(3,4-difluorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241532
2-amino-4-(4-ethoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
CID 44817564
2-amino-4-(2-chlorophenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5259033
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2,4-diamino-6-(4-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169396287
2-amino-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile (CID 5241329) is 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile is CCCCCCOc1ccc(-c2cc(-c3ccc(OCC)cc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is LIQMRFGFXDHNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-5-6-7-16-31-22-12-8-19(9-13-22)23-17-25(29-26(28)24(23)18-27)20-10-14-21(15-11-20)30-4-2/h8-15,17H,3-7,16H2,1-2H3,(H2,28,29).
What are the key properties of 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 415.54 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5241329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).