N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide

C21H28N4O2 — CID 92680834

IUPACN-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
SMILESCCN1CCN([C@H](CNC(=O)c2ccc(OC)cc2)c2cccnc2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-24-11-13-25(14-12-24)20(18-5-4-10-22-15-18)16-23-21(26)17-6-8-19(27-2)9-7-17/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyBVBBJNUDGYIQGV-HXUWFJFHSA-N
MW368.48 g/mol
LogP2.20
Rot. Bonds7

About N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide

N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide (PubChem CID 92680834) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
PubChem CID92680834
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
SMILESCCN1CCN([C@H](CNC(=O)c2ccc(OC)cc2)c2cccnc2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-24-11-13-25(14-12-24)20(18-5-4-10-22-15-18)16-23-21(26)17-6-8-19(27-2)9-7-17/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyBVBBJNUDGYIQGV-HXUWFJFHSA-N
XLogP2.20
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
3-chloro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 3240145
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112504483
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(2-phenylethyl)oxamide
CID 51631275
2-fluoro-N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
CID 27443394
N'-[(2R)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 7087516
N'-(4-methoxyphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517357
N-[(4-methoxyphenyl)methyl]-N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773843
N-[(4-methoxyphenyl)methyl]-N'-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 40773845
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-3-methoxybenzamide
CID 4067165
N-[2-(4-ethylpiperazin-1-yl)-2-(4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 112505249

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide (CID 92680834) is N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide is CCN1CCN([C@H](CNC(=O)c2ccc(OC)cc2)c2cccnc2)CC1.
What is the InChIKey of N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide?
The InChIKey is BVBBJNUDGYIQGV-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-24-11-13-25(14-12-24)20(18-5-4-10-22-15-18)16-23-21(26)17-6-8-19(27-2)9-7-17/h4-10,15,20H,3,11-14,16H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide?
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide has a molecular weight of 368.48 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide is sourced from PubChem (CID 92680834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).