2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide

C15H24N4OS — CID 84560742

IUPAC2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CSCCN)cn2)CC1
InChIInChI=1S/C15H24N4OS/c1-12-4-7-19(8-5-12)14-3-2-13(10-17-14)18-15(20)11-21-9-6-16/h2-3,10,12H,4-9,11,16H2,1H3,(H,18,20)
InChIKeyGEEUADRGGSGHNW-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.95
Rot. Bonds6

About 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide

2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide (PubChem CID 84560742) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
PubChem CID84560742
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
SMILESCC1CCN(c2ccc(NC(=O)CSCCN)cn2)CC1
InChIInChI=1S/C15H24N4OS/c1-12-4-7-19(8-5-12)14-3-2-13(10-17-14)18-15(20)11-21-9-6-16/h2-3,10,12H,4-9,11,16H2,1H3,(H,18,20)
InChIKeyGEEUADRGGSGHNW-UHFFFAOYSA-N
XLogP1.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.95
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

3-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]propanamide
CID 39181563
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 155402796
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
(2R)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 42417081
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
2-(2-aminoethoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 79473295
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide (CID 84560742) is 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide is CC1CCN(c2ccc(NC(=O)CSCCN)cn2)CC1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is GEEUADRGGSGHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12-4-7-19(8-5-12)14-3-2-13(10-17-14)18-15(20)11-21-9-6-16/h2-3,10,12H,4-9,11,16H2,1H3,(H,18,20).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide?
2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 84560742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).