N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide

C27H25N5O2 — CID 140543628

IUPACN-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3C(C)NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N5O2/c1-18(29-26(34)21-8-4-3-5-9-21)23-10-6-7-11-25(23)32-27-28-17-16-24(31-27)20-12-14-22(15-13-20)30-19(2)33/h3-18H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32)
InChIKeyPTBPURCHBQBWAG-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.34
Rot. Bonds7

About N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide

N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide (PubChem CID 140543628) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide
PubChem CID140543628
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC NameN-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3C(C)NC(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C27H25N5O2/c1-18(29-26(34)21-8-4-3-5-9-21)23-10-6-7-11-25(23)32-27-28-17-16-24(31-27)20-12-14-22(15-13-20)30-19(2)33/h3-18H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32)
InChIKeyPTBPURCHBQBWAG-UHFFFAOYSA-N
XLogP5.34
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
N-(4-acetamidophenyl)-2-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316027
4-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-N-propan-2-ylbenzamide
CID 142145525
4-acetamido-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 51456710
N-[3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-2-bromobenzamide
CID 24877441
N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 24877098
N-[4-[2-[3-(4-phenylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 24878247
4-acetamido-N-[(1R)-1-(2-chlorophenyl)ethyl]benzamide
CID 27769015
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2-phenyl-6-bicyclo[3.1.1]hepta-1,3,5(7)-trienyl)methyl]benzamide
CID 141186023
N-(4-chlorophenyl)-4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]benzamide
CID 58716978

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide?
The IUPAC name of N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide (CID 140543628) is N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide.
What is the SMILES notation for N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide?
The canonical SMILES for N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3C(C)NC(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide?
The InChIKey is PTBPURCHBQBWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-18(29-26(34)21-8-4-3-5-9-21)23-10-6-7-11-25(23)32-27-28-17-16-24(31-27)20-12-14-22(15-13-20)30-19(2)33/h3-18H,1-2H3,(H,29,34)(H,30,33)(H,28,31,32).
What are the key properties of N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide?
N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]ethyl]benzamide is sourced from PubChem (CID 140543628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).