2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide

C17H23N3O — CID 86952155

IUPAC2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCCC2(CC=CCC2)C1)Nc1ccncc1
InChIInChI=1S/C17H23N3O/c21-16(19-15-5-10-18-11-6-15)13-20-12-4-9-17(14-20)7-2-1-3-8-17/h1-2,5-6,10-11H,3-4,7-9,12-14H2,(H,18,19,21)
InChIKeyVYQFQRJNWPRMJS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide

2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide (PubChem CID 86952155) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide
PubChem CID86952155
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide
SMILESO=C(CN1CCCC2(CC=CCC2)C1)Nc1ccncc1
InChIInChI=1S/C17H23N3O/c21-16(19-15-5-10-18-11-6-15)13-20-12-4-9-17(14-20)7-2-1-3-8-17/h1-2,5-6,10-11H,3-4,7-9,12-14H2,(H,18,19,21)
InChIKeyVYQFQRJNWPRMJS-UHFFFAOYSA-N
XLogP2.84
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(6R)-2-azaspiro[5.5]undec-9-en-2-yl]-N-(3-methoxypropyl)acetamide
CID 95627842
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
2-(2-azaspiro[5.5]undec-9-en-2-ylmethyl)pyridine-3-carboxylic acid
CID 136550533
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-(4-fluorophenyl)-2-[2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 91829765
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
2-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 71908932
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide (CID 86952155) is 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide is O=C(CN1CCCC2(CC=CCC2)C1)Nc1ccncc1.
What is the InChIKey of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide?
The InChIKey is VYQFQRJNWPRMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-16(19-15-5-10-18-11-6-15)13-20-12-4-9-17(14-20)7-2-1-3-8-17/h1-2,5-6,10-11H,3-4,7-9,12-14H2,(H,18,19,21).
What are the key properties of 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide?
2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide has a molecular weight of 285.39 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[5.5]undec-9-en-2-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 86952155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).