2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide

C12H19N3O2S — CID 84561073

IUPAC2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide
SMILESCCCOc1cccnc1NC(=O)CSCCN
InChIInChI=1S/C12H19N3O2S/c1-2-7-17-10-4-3-6-14-12(10)15-11(16)9-18-8-5-13/h3-4,6H,2,5,7-9,13H2,1H3,(H,14,15,16)
InChIKeyDMWZBXOUAZUHHM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds8

About 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide

2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide (PubChem CID 84561073) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide
PubChem CID84561073
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide
SMILESCCCOc1cccnc1NC(=O)CSCCN
InChIInChI=1S/C12H19N3O2S/c1-2-7-17-10-4-3-6-14-12(10)15-11(16)9-18-8-5-13/h3-4,6H,2,5,7-9,13H2,1H3,(H,14,15,16)
InChIKeyDMWZBXOUAZUHHM-UHFFFAOYSA-N
XLogP1.50
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
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

tert-butyl N-[2-[2-oxo-2-[(3-propoxy-2-pyridinyl)amino]ethyl]sulfanylethyl]carbamate
CID 84561111
4-(2-aminophenoxy)-N-(3-propoxy-2-pyridinyl)butanamide
CID 84560735
N-(3-methyl-2-pyridinyl)-2-propylsulfanylacetamide
CID 52671364
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
3-amino-N-(3-hydroxy-2-pyridinyl)propanamide
CID 110460198
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
2,3-dimethyl-3-[(3-propoxy-2-pyridinyl)amino]butan-2-ol
CID 106185999
3-methoxy-2-N-(3-propoxy-2-pyridinyl)propane-1,2-diamine
CID 114155004
2-[(2-phenylacetyl)amino]-N-(3-propoxy-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84560141
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide (CID 84561073) is 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide is CCCOc1cccnc1NC(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide?
The InChIKey is DMWZBXOUAZUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-7-17-10-4-3-6-14-12(10)15-11(16)9-18-8-5-13/h3-4,6H,2,5,7-9,13H2,1H3,(H,14,15,16).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide has a molecular weight of 269.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(3-propoxy-2-pyridinyl)acetamide is sourced from PubChem (CID 84561073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).