1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone

C21H26N4O2 — CID 109155193

IUPAC1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)20-10-9-19(15-22-20)21(27)25-13-11-24(12-14-25)17(2)26/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyRDEWSRQADLDJMP-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.41
Rot. Bonds5

About 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone

1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109155193) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
PubChem CID109155193
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)20-10-9-19(15-22-20)21(27)25-13-11-24(12-14-25)17(2)26/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyRDEWSRQADLDJMP-UHFFFAOYSA-N
XLogP2.41
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[benzyl(ethyl)amino]-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109157533
[6-(diethylamino)-3-pyridinyl]-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 48679733
6-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 109152040
[5-[benzyl(ethyl)amino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274289
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155012
[6-(diethylamino)-3-pyridinyl]-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 48680586
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457
6-[benzyl(ethyl)amino]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109157548
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyrimidine-5-carboxamide
CID 109254752
[2-(diethylamino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261104

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone (CID 109155193) is 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone is CCN(Cc1ccccc1)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cn1.
What is the InChIKey of 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is RDEWSRQADLDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-23(16-18-7-5-4-6-8-18)20-10-9-19(15-22-20)21(27)25-13-11-24(12-14-25)17(2)26/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone?
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 366.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109155193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).