2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide

C20H30N4O2S — CID 142066381

IUPAC2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide
SMILESC=C(c1cccnc1)C(CSCCNC(=O)CN)CC(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O2S/c1-16(17-6-5-7-22-14-17)18(15-27-11-8-23-19(25)13-21)12-20(26)24-9-3-2-4-10-24/h5-7,14,18H,1-4,8-13,15,21H2,(H,23,25)
InChIKeyVGFPRPNVIBYYCI-UHFFFAOYSA-N
MW390.55 g/mol
LogP1.92
Rot. Bonds10

About 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide

2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide (PubChem CID 142066381) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide
PubChem CID142066381
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide
SMILESC=C(c1cccnc1)C(CSCCNC(=O)CN)CC(=O)N1CCCCC1
InChIInChI=1S/C20H30N4O2S/c1-16(17-6-5-7-22-14-17)18(15-27-11-8-23-19(25)13-21)12-20(26)24-9-3-2-4-10-24/h5-7,14,18H,1-4,8-13,15,21H2,(H,23,25)
InChIKeyVGFPRPNVIBYYCI-UHFFFAOYSA-N
XLogP1.92
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]benzamide
CID 21340905
5-fluoro-N-[2-[4-oxo-4-piperidin-1-yl-2-(pyridine-3-carbonyl)butyl]sulfanylethyl]cyclohepta-1,4,6-triene-1-carboxamide
CID 142066395
2-[2-[(2-cyclohexylacetyl)amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid
CID 139950309
1-pyridin-3-yl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 22925185
4-oxo-3-[2-(phenylcarbamoylamino)ethylsulfanylmethyl]-4-pyridin-3-ylbutanoic acid
CID 10271552
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
3-(2-acetamidoethylsulfanylmethyl)-N,N-dimethyl-5-oxo-4-pyridin-3-ylpent-4-enamide
CID 142066386
N'-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)acetyl]pyridine-3-carbohydrazide
CID 3971401
N-[2-[[amino(piperidin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111055652
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]pyridine-3-carboxamide
CID 110351611
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide (CID 142066381) is 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide is C=C(c1cccnc1)C(CSCCNC(=O)CN)CC(=O)N1CCCCC1.
What is the InChIKey of 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide?
The InChIKey is VGFPRPNVIBYYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-16(17-6-5-7-22-14-17)18(15-27-11-8-23-19(25)13-21)12-20(26)24-9-3-2-4-10-24/h5-7,14,18H,1-4,8-13,15,21H2,(H,23,25).
What are the key properties of 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide?
2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide has a molecular weight of 390.55 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(2-oxo-2-piperidin-1-ylethyl)-3-pyridin-3-ylbut-3-enyl]sulfanylethyl]acetamide is sourced from PubChem (CID 142066381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).