N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C21H29N5O4 — CID 91924683

IUPACN-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCOCCCNC(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H29N5O4/c1-2-28-11-3-8-23-20(27)26-14-17(21(15-26)6-12-29-13-7-21)19-25-24-18(30-19)16-4-9-22-10-5-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3,(H,23,27)
InChIKeyIVBOPKKRTFCBIW-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.46
Rot. Bonds7

About N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 91924683) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID91924683
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC NameN-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCOCCCNC(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1
InChIInChI=1S/C21H29N5O4/c1-2-28-11-3-8-23-20(27)26-14-17(21(15-26)6-12-29-13-7-21)19-25-24-18(30-19)16-4-9-22-10-5-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3,(H,23,27)
InChIKeyIVBOPKKRTFCBIW-UHFFFAOYSA-N
XLogP2.46
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 91924683) is N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCOCCCNC(=O)N1CC(c2nnc(-c3ccncc3)o2)C2(CCOCC2)C1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is IVBOPKKRTFCBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-2-28-11-3-8-23-20(27)26-14-17(21(15-26)6-12-29-13-7-21)19-25-24-18(30-19)16-4-9-22-10-5-16/h4-5,9-10,17H,2-3,6-8,11-15H2,1H3,(H,23,27).
What are the key properties of N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 91924683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).