4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline

C31H33N5O — CID 67236705

IUPAC4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline
SMILESNc1ccc(C2CCC(c3ccc(N)cc3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)cc1
InChIInChI=1S/C31H33N5O/c32-26-8-1-23(2-9-26)29-14-15-30(24-3-10-27(33)11-4-24)36(29)28-12-5-22(6-13-28)25-7-16-31(34-21-25)35-17-19-37-20-18-35/h1-13,16,21,29-30H,14-15,17-20,32-33H2
InChIKeyCWDZYVOHGRCCEK-UHFFFAOYSA-N
MW491.64 g/mol
LogP5.83
Rot. Bonds5

About 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline

4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline (PubChem CID 67236705) has the molecular formula C31H33N5O and a molecular weight of 491.64 g/mol. Its IUPAC name is 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline
PubChem CID67236705
Molecular FormulaC31H33N5O
Molecular Weight491.64 g/mol
Exact Mass491.27
IUPAC Name4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline
SMILESNc1ccc(C2CCC(c3ccc(N)cc3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)cc1
InChIInChI=1S/C31H33N5O/c32-26-8-1-23(2-9-26)29-14-15-30(24-3-10-27(33)11-4-24)36(29)28-12-5-22(6-13-28)25-7-16-31(34-21-25)35-17-19-37-20-18-35/h1-13,16,21,29-30H,14-15,17-20,32-33H2
InChIKeyCWDZYVOHGRCCEK-UHFFFAOYSA-N
XLogP5.83
TPSA80.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline 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-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline?
The IUPAC name of 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline (CID 67236705) is 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline.
What is the SMILES notation for 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline?
The canonical SMILES for 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline is Nc1ccc(C2CCC(c3ccc(N)cc3)N2c2ccc(-c3ccc(N4CCOCC4)nc3)cc2)cc1.
What is the InChIKey of 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline?
The InChIKey is CWDZYVOHGRCCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O/c32-26-8-1-23(2-9-26)29-14-15-30(24-3-10-27(33)11-4-24)36(29)28-12-5-22(6-13-28)25-7-16-31(34-21-25)35-17-19-37-20-18-35/h1-13,16,21,29-30H,14-15,17-20,32-33H2.
What are the key properties of 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline?
4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline has a molecular weight of 491.64 g/mol, XLogP of 5.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminophenyl)-1-[4-(6-morpholin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-yl]aniline is sourced from PubChem (CID 67236705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).