4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C30H32N6O4 — CID 71603171

IUPAC4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H32N6O4/c1-38-28-10-5-22(20-27(28)35-30-32-13-11-26(34-30)23-4-2-12-31-21-23)29(37)33-24-6-8-25(9-7-24)40-17-3-14-36-15-18-39-19-16-36/h2,4-13,20-21H,3,14-19H2,1H3,(H,33,37)(H,32,34,35)
InChIKeyWQERLKAGPFFGAY-UHFFFAOYSA-N
MW540.62 g/mol
LogP4.64
Rot. Bonds11

About 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 71603171) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 g/mol. Its IUPAC name is 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID71603171
Molecular FormulaC30H32N6O4
Molecular Weight540.62 g/mol
Exact Mass540.25
IUPAC Name4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C30H32N6O4/c1-38-28-10-5-22(20-27(28)35-30-32-13-11-26(34-30)23-4-2-12-31-21-23)29(37)33-24-6-8-25(9-7-24)40-17-3-14-36-15-18-39-19-16-36/h2,4-13,20-21H,3,14-19H2,1H3,(H,33,37)(H,32,34,35)
InChIKeyWQERLKAGPFFGAY-UHFFFAOYSA-N
XLogP4.64
TPSA110.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide 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-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 71603171) is 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(OCCCN3CCOCC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is WQERLKAGPFFGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-38-28-10-5-22(20-27(28)35-30-32-13-11-26(34-30)23-4-2-12-31-21-23)29(37)33-24-6-8-25(9-7-24)40-17-3-14-36-15-18-39-19-16-36/h2,4-13,20-21H,3,14-19H2,1H3,(H,33,37)(H,32,34,35).
What are the key properties of 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 540.62 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 71603171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).