N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide

C25H21N5O2 — CID 24877795

IUPACN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C25H21N5O2/c1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30)
InChIKeyVQAONYKIVYSXJJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.10
Rot. Bonds6

About N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide

N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide (PubChem CID 24877795) has the molecular formula C25H21N5O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide
PubChem CID24877795
Molecular FormulaC25H21N5O2
Molecular Weight423.48 g/mol
Exact Mass423.17
IUPAC NameN-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1
InChIInChI=1S/C25H21N5O2/c1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30)
InChIKeyVQAONYKIVYSXJJ-UHFFFAOYSA-N
XLogP5.10
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]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 N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide (CID 24877795) is N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide is CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)c4ccccc4)c3)n2)cc1.
What is the InChIKey of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
The InChIKey is VQAONYKIVYSXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2/c1-17(31)27-20-12-10-18(11-13-20)23-14-15-26-25(30-23)29-22-9-5-8-21(16-22)28-24(32)19-6-3-2-4-7-19/h2-16H,1H3,(H,27,31)(H,28,32)(H,26,29,30).
What are the key properties of N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide?
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide has a molecular weight of 423.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]benzamide is sourced from PubChem (CID 24877795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).