6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile

C28H26N8O2 — CID 122191796

IUPAC6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(Nc3ccc4cc(C#N)ccc4c3)nc(OCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C28H26N8O2/c29-18-20-3-7-24(8-4-20)31-26-33-27(32-25-9-6-22-16-21(19-30)2-5-23(22)17-25)35-28(34-26)38-13-1-10-36-11-14-37-15-12-36/h2-9,16-17H,1,10-15H2,(H2,31,32,33,34,35)
InChIKeyMUWXHVMXPJZTTQ-UHFFFAOYSA-N
MW506.57 g/mol
LogP4.36
Rot. Bonds9

About 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile

6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile (PubChem CID 122191796) has the molecular formula C28H26N8O2 and a molecular weight of 506.57 g/mol. Its IUPAC name is 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile
PubChem CID122191796
Molecular FormulaC28H26N8O2
Molecular Weight506.57 g/mol
Exact Mass506.22
IUPAC Name6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile
SMILESN#Cc1ccc(Nc2nc(Nc3ccc4cc(C#N)ccc4c3)nc(OCCCN3CCOCC3)n2)cc1
InChIInChI=1S/C28H26N8O2/c29-18-20-3-7-24(8-4-20)31-26-33-27(32-25-9-6-22-16-21(19-30)2-5-23(22)17-25)35-28(34-26)38-13-1-10-36-11-14-37-15-12-36/h2-9,16-17H,1,10-15H2,(H2,31,32,33,34,35)
InChIKeyMUWXHVMXPJZTTQ-UHFFFAOYSA-N
XLogP4.36
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile?
The IUPAC name of 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile (CID 122191796) is 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile is N#Cc1ccc(Nc2nc(Nc3ccc4cc(C#N)ccc4c3)nc(OCCCN3CCOCC3)n2)cc1.
What is the InChIKey of 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile?
The InChIKey is MUWXHVMXPJZTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O2/c29-18-20-3-7-24(8-4-20)31-26-33-27(32-25-9-6-22-16-21(19-30)2-5-23(22)17-25)35-28(34-26)38-13-1-10-36-11-14-37-15-12-36/h2-9,16-17H,1,10-15H2,(H2,31,32,33,34,35).
What are the key properties of 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile?
6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile has a molecular weight of 506.57 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-cyanoanilino)-6-(3-morpholin-4-ylpropoxy)-1,3,5-triazin-2-yl]amino]naphthalene-2-carbonitrile is sourced from PubChem (CID 122191796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).