2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide

C23H32N4O2 — CID 144998258

IUPAC2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide
SMILESC=C/C(=C\C)C1(N(C)C)CCC2(CC1)CC(=O)N(CC(=O)Nc1ccccn1)C2
InChIInChI=1S/C23H32N4O2/c1-5-18(6-2)23(26(3)4)12-10-22(11-13-23)15-21(29)27(17-22)16-20(28)25-19-9-7-8-14-24-19/h5-9,14H,1,10-13,15-17H2,2-4H3,(H,24,25,28)/b18-6+
InChIKeyYURGCQWITWGWRC-NGYBGAFCSA-N
MW396.54 g/mol
LogP3.25
Rot. Bonds6

About 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide

2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide (PubChem CID 144998258) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide
PubChem CID144998258
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide
SMILESC=C/C(=C\C)C1(N(C)C)CCC2(CC1)CC(=O)N(CC(=O)Nc1ccccn1)C2
InChIInChI=1S/C23H32N4O2/c1-5-18(6-2)23(26(3)4)12-10-22(11-13-23)15-21(29)27(17-22)16-20(28)25-19-9-7-8-14-24-19/h5-9,14H,1,10-13,15-17H2,2-4H3,(H,24,25,28)/b18-6+
InChIKeyYURGCQWITWGWRC-NGYBGAFCSA-N
XLogP3.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]-N-[2-(trifluoromethyl)pyrimidin-5-yl]acetamide
CID 118666610
methyl 3-[8-(dimethylamino)-3-oxo-8-pyridin-2-yl-2-azaspiro[4.5]decan-2-yl]-2,2-dimethylpropanoate
CID 118666317
N-(2-cyanoethyl)-2-[8-(dimethylamino)-3-oxo-8-phenyl-2-azaspiro[4.5]decan-2-yl]acetamide
CID 118666606
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
4-amino-1-prop-2-enyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 67135389
6,6-dimethyl-N-pyridin-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 136559769
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063

Frequently Asked Questions

What is the IUPAC name of 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide (CID 144998258) is 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide is C=C/C(=C\C)C1(N(C)C)CCC2(CC1)CC(=O)N(CC(=O)Nc1ccccn1)C2.
What is the InChIKey of 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide?
The InChIKey is YURGCQWITWGWRC-NGYBGAFCSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-5-18(6-2)23(26(3)4)12-10-22(11-13-23)15-21(29)27(17-22)16-20(28)25-19-9-7-8-14-24-19/h5-9,14H,1,10-13,15-17H2,2-4H3,(H,24,25,28)/b18-6+.
What are the key properties of 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide?
2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide has a molecular weight of 396.54 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(dimethylamino)-3-oxo-8-[(3E)-penta-1,3-dien-3-yl]-2-azaspiro[4.5]decan-2-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 144998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).