4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile

C24H24N4O3 — CID 71540729

IUPAC4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile
SMILESCOc1ccc(C#N)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyJKDVQSBZXOTCNO-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.22
Rot. Bonds6

About 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile

4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile (PubChem CID 71540729) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile
PubChem CID71540729
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile
SMILESCOc1ccc(C#N)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1
InChIInChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27)
InChIKeyJKDVQSBZXOTCNO-UHFFFAOYSA-N
XLogP4.22
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile 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 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile (CID 71540729) is 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile is COc1ccc(C#N)cc1-c1ccnc(Nc2ccc(N3CCOCC3)c(OC)c2)c1.
What is the InChIKey of 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile?
The InChIKey is JKDVQSBZXOTCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-29-22-6-3-17(16-25)13-20(22)18-7-8-26-24(14-18)27-19-4-5-21(23(15-19)30-2)28-9-11-31-12-10-28/h3-8,13-15H,9-12H2,1-2H3,(H,26,27).
What are the key properties of 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile?
4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile has a molecular weight of 416.48 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(3-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 71540729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).