8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C18H28N4O2 — CID 127267282

IUPAC8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cccc(NC(=O)N2CC3(CCCC3)OCC2CN(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-14-7-6-8-16(19-14)20-17(23)22-13-18(9-4-5-10-18)24-12-15(22)11-21(2)3/h6-8,15H,4-5,9-13H2,1-3H3,(H,19,20,23)
InChIKeyZFHZCVXNYOLBEP-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.50
Rot. Bonds3

About 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 127267282) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID127267282
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCc1cccc(NC(=O)N2CC3(CCCC3)OCC2CN(C)C)n1
InChIInChI=1S/C18H28N4O2/c1-14-7-6-8-16(19-14)20-17(23)22-13-18(9-4-5-10-18)24-12-15(22)11-21(2)3/h6-8,15H,4-5,9-13H2,1-3H3,(H,19,20,23)
InChIKeyZFHZCVXNYOLBEP-UHFFFAOYSA-N
XLogP2.50
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 127267282) is 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is Cc1cccc(NC(=O)N2CC3(CCCC3)OCC2CN(C)C)n1.
What is the InChIKey of 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is ZFHZCVXNYOLBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-7-6-8-16(19-14)20-17(23)22-13-18(9-4-5-10-18)24-12-15(22)11-21(2)3/h6-8,15H,4-5,9-13H2,1-3H3,(H,19,20,23).
What are the key properties of 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 127267282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).