N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide

C23H31N5O2 — CID 51631275

IUPACN'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCCN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C23H31N5O2/c1-2-27-13-15-28(16-14-27)21(20-9-6-11-24-17-20)18-26-23(30)22(29)25-12-10-19-7-4-3-5-8-19/h3-9,11,17,21H,2,10,12-16,18H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeyNFTSVIIIYRQOEM-NRFANRHFSA-N
MW409.53 g/mol
LogP1.24
Rot. Bonds8

About N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide

N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide (PubChem CID 51631275) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
PubChem CID51631275
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
SMILESCCN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2cccnc2)CC1
InChIInChI=1S/C23H31N5O2/c1-2-27-13-15-28(16-14-27)21(20-9-6-11-24-17-20)18-26-23(30)22(29)25-12-10-19-7-4-3-5-8-19/h3-9,11,17,21H,2,10,12-16,18H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1
InChIKeyNFTSVIIIYRQOEM-NRFANRHFSA-N
XLogP1.24
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 92766710
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 7087530
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 7087516
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 22517332
N-[(2R)-2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(4-methylphenyl)oxamide
CID 92680974
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
N-[(2S)-2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(4-fluorophenyl)oxamide
CID 92680983
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N-(2-morpholin-4-ylethyl)-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 27564085

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide (CID 51631275) is N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide is CCN1CCN([C@@H](CNC(=O)C(=O)NCCc2ccccc2)c2cccnc2)CC1.
What is the InChIKey of N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide?
The InChIKey is NFTSVIIIYRQOEM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-2-27-13-15-28(16-14-27)21(20-9-6-11-24-17-20)18-26-23(30)22(29)25-12-10-19-7-4-3-5-8-19/h3-9,11,17,21H,2,10,12-16,18H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1.
What are the key properties of N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide?
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide has a molecular weight of 409.53 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide is sourced from PubChem (CID 51631275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).