4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile

C24H26N4O2 — CID 127027368

IUPAC4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile
SMILESCOCCNc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C24H26N4O2/c1-16-11-17(2)24(18(3)12-16)30-21-13-22(26-9-10-29-4)28-23(14-21)27-20-7-5-19(15-25)6-8-20/h5-8,11-14H,9-10H2,1-4H3,(H2,26,27,28)
InChIKeyDRIURNSRRMGAAE-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.47
Rot. Bonds8

About 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile

4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile (PubChem CID 127027368) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile
PubChem CID127027368
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile
SMILESCOCCNc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C24H26N4O2/c1-16-11-17(2)24(18(3)12-16)30-21-13-22(26-9-10-29-4)28-23(14-21)27-20-7-5-19(15-25)6-8-20/h5-8,11-14H,9-10H2,1-4H3,(H2,26,27,28)
InChIKeyDRIURNSRRMGAAE-UHFFFAOYSA-N
XLogP5.47
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile with MolForge

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Related Compounds

Etravirine
CID 193962
4-[2-(4-Cyanoanilino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile
CID 488789
4-[[4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478571
4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 6478572
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
4-[[5-Amino-6-(4-cyanoanilino)-2-pyridyl]oxy]-3,5-dimethyl-benzonitrile
CID 44555381
4-[[3-Amino-6-(4-ethynyl-2,6-dimethyl-phenoxy)-2-pyridyl]amino]benzonitrile
CID 45486730
US10155760, Example 3
CID 118419786
US10155760, Example 21
CID 118420000
4-Methoxy-3-[2-[(3-Methoxy-4-Morpholin-4-Yl-Phenyl)amino]pyridin-4-Yl]benzenecarbonitrile
CID 71540729
4-[[3-amino-6-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-2-pyridyl]amino]benzonitrile
CID 46191050
4-[[4-(2,4,6-Trimethylphenoxy)-2-pyrimidinyl]amino]benzonitrile
CID 488767

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile (CID 127027368) is 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile is COCCNc1cc(Oc2c(C)cc(C)cc2C)cc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile?
The InChIKey is DRIURNSRRMGAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-16-11-17(2)24(18(3)12-16)30-21-13-22(26-9-10-29-4)28-23(14-21)27-20-7-5-19(15-25)6-8-20/h5-8,11-14H,9-10H2,1-4H3,(H2,26,27,28).
What are the key properties of 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile?
4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile has a molecular weight of 402.50 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2-methoxyethylamino)-4-(2,4,6-trimethylphenoxy)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 127027368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).