N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

C25H28N6O2 — CID 17391707

IUPACN-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H28N6O2/c32-23(19-30-15-17-31(18-16-30)25-27-12-6-13-28-25)29-22-10-5-4-9-21(22)24(33)26-14-11-20-7-2-1-3-8-20/h1-10,12-13H,11,14-19H2,(H,26,33)(H,29,32)
InChIKeyMNFNEGHFFPIHCE-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.21
Rot. Bonds8

About N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide

N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (PubChem CID 17391707) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
PubChem CID17391707
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H28N6O2/c32-23(19-30-15-17-31(18-16-30)25-27-12-6-13-28-25)29-22-10-5-4-9-21(22)24(33)26-14-11-20-7-2-1-3-8-20/h1-10,12-13H,11,14-19H2,(H,26,33)(H,29,32)
InChIKeyMNFNEGHFFPIHCE-UHFFFAOYSA-N
XLogP2.21
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109307879
N-[2-(2-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595807
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-bromophenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]acetamide
CID 26570245
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55410746

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide (CID 17391707) is N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
The InChIKey is MNFNEGHFFPIHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c32-23(19-30-15-17-31(18-16-30)25-27-12-6-13-28-25)29-22-10-5-4-9-21(22)24(33)26-14-11-20-7-2-1-3-8-20/h1-10,12-13H,11,14-19H2,(H,26,33)(H,29,32).
What are the key properties of N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide?
N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 17391707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).