2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride

C17H25ClN4O2 — CID 11221916

IUPAC2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride
SMILESO=C(CN1CC[N+]2(CCCC2)CC1=O)NCCc1ccccn1.[Cl-]
InChIInChI=1S/C17H24N4O2.ClH/c22-16(19-8-6-15-5-1-2-7-18-15)13-20-9-12-21(14-17(20)23)10-3-4-11-21;/h1-2,5,7H,3-4,6,8-14H2;1H
InChIKeyRLAHFQNODIUEBT-UHFFFAOYSA-N
MW352.87 g/mol
LogP-2.80
Rot. Bonds5

About 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride

2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride (PubChem CID 11221916) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride.

Molecular Properties

Compound Name2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride
PubChem CID11221916
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride
SMILESO=C(CN1CC[N+]2(CCCC2)CC1=O)NCCc1ccccn1.[Cl-]
InChIInChI=1S/C17H24N4O2.ClH/c22-16(19-8-6-15-5-1-2-7-18-15)13-20-9-12-21(14-17(20)23)10-3-4-11-21;/h1-2,5,7H,3-4,6,8-14H2;1H
InChIKeyRLAHFQNODIUEBT-UHFFFAOYSA-N
XLogP-2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 5-2.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 42859124
2-(4-aminopyrazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 43382460
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-[8-(cyclopropanecarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 5176325
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
CID 115157427
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 60600060
2-[1-(methylamino)cyclohexyl]-N-(2-pyridin-2-ylethyl)acetamide
CID 65240965

Frequently Asked Questions

What is the IUPAC name of 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride?
The IUPAC name of 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride (CID 11221916) is 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride.
What is the SMILES notation for 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride?
The canonical SMILES for 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride is O=C(CN1CC[N+]2(CCCC2)CC1=O)NCCc1ccccn1.[Cl-].
What is the InChIKey of 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride?
The InChIKey is RLAHFQNODIUEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c22-16(19-8-6-15-5-1-2-7-18-15)13-20-9-12-21(14-17(20)23)10-3-4-11-21;/h1-2,5,7H,3-4,6,8-14H2;1H.
What are the key properties of 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride?
2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride has a molecular weight of 352.87 g/mol, XLogP of -2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-oxo-8-aza-5-azoniaspiro[4.5]decan-8-yl)-N-(2-pyridin-2-ylethyl)acetamide chloride is sourced from PubChem (CID 11221916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).