2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide

C16H26N4O3 — CID 58537411

IUPAC2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)COCCN)c1
InChIInChI=1S/C16H26N4O3/c1-20-6-2-3-15(20)13-9-14(11-18-10-13)23-8-5-19-16(21)12-22-7-4-17/h9-11,15H,2-8,12,17H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLRKGBJALENOLNC-HNNXBMFYSA-N
MW322.41 g/mol
LogP0.32
Rot. Bonds9

About 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide

2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide (PubChem CID 58537411) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
PubChem CID58537411
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide
SMILESCN1CCC[C@H]1c1cncc(OCCNC(=O)COCCN)c1
InChIInChI=1S/C16H26N4O3/c1-20-6-2-3-15(20)13-9-14(11-18-10-13)23-8-5-19-16(21)12-22-7-4-17/h9-11,15H,2-8,12,17H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLRKGBJALENOLNC-HNNXBMFYSA-N
XLogP0.32
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide (CID 58537411) is 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide is CN1CCC[C@H]1c1cncc(OCCNC(=O)COCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide?
The InChIKey is LRKGBJALENOLNC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-20-6-2-3-15(20)13-9-14(11-18-10-13)23-8-5-19-16(21)12-22-7-4-17/h9-11,15H,2-8,12,17H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide?
2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[2-[[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]oxy]ethyl]acetamide is sourced from PubChem (CID 58537411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).