N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H34N6O4 — CID 155875222

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CN(Cc3ccnc(N4CCOCC4)c3)CC23CCOCC3)no1
InChIInChI=1S/C24H34N6O4/c1-18-27-21(28-34-18)3-7-26-23(31)20-16-29(17-24(20)4-10-32-11-5-24)15-19-2-6-25-22(14-19)30-8-12-33-13-9-30/h2,6,14,20H,3-5,7-13,15-17H2,1H3,(H,26,31)
InChIKeyLMXWONFWPCRNOU-UHFFFAOYSA-N
MW470.57 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155875222) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155875222
Molecular FormulaC24H34N6O4
Molecular Weight470.57 g/mol
Exact Mass470.26
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1nc(CCNC(=O)C2CN(Cc3ccnc(N4CCOCC4)c3)CC23CCOCC3)no1
InChIInChI=1S/C24H34N6O4/c1-18-27-21(28-34-18)3-7-26-23(31)20-16-29(17-24(20)4-10-32-11-5-24)15-19-2-6-25-22(14-19)30-8-12-33-13-9-30/h2,6,14,20H,3-5,7-13,15-17H2,1H3,(H,26,31)
InChIKeyLMXWONFWPCRNOU-UHFFFAOYSA-N
XLogP1.20
TPSA105.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155875222) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1nc(CCNC(=O)C2CN(Cc3ccnc(N4CCOCC4)c3)CC23CCOCC3)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LMXWONFWPCRNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-18-27-21(28-34-18)3-7-26-23(31)20-16-29(17-24(20)4-10-32-11-5-24)15-19-2-6-25-22(14-19)30-8-12-33-13-9-30/h2,6,14,20H,3-5,7-13,15-17H2,1H3,(H,26,31).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155875222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).