N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide

C15H19N3O3 — CID 176581867

IUPACN-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N2CCC3(CC2)COC3)cnc1C=O
InChIInChI=1S/C15H19N3O3/c1-11(20)17-13-6-12(7-16-14(13)8-19)18-4-2-15(3-5-18)9-21-10-15/h6-8H,2-5,9-10H2,1H3,(H,17,20)
InChIKeyCKUJCBSIXDTXNC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.47
Rot. Bonds3

About N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide

N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide (PubChem CID 176581867) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide
PubChem CID176581867
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(N2CCC3(CC2)COC3)cnc1C=O
InChIInChI=1S/C15H19N3O3/c1-11(20)17-13-6-12(7-16-14(13)8-19)18-4-2-15(3-5-18)9-21-10-15/h6-8H,2-5,9-10H2,1H3,(H,17,20)
InChIKeyCKUJCBSIXDTXNC-UHFFFAOYSA-N
XLogP1.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide (CID 176581867) is N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide is CC(=O)Nc1cc(N2CCC3(CC2)COC3)cnc1C=O.
What is the InChIKey of N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide?
The InChIKey is CKUJCBSIXDTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(20)17-13-6-12(7-16-14(13)8-19)18-4-2-15(3-5-18)9-21-10-15/h6-8H,2-5,9-10H2,1H3,(H,17,20).
What are the key properties of N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide?
N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide has a molecular weight of 289.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-formyl-5-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 176581867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).