8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C17H25FN4O2 — CID 127267283

IUPAC8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)CC1COC2(CCCC2)CN1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C17H25FN4O2/c1-21(2)10-14-11-24-17(7-3-4-8-17)12-22(14)16(23)20-15-6-5-13(18)9-19-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3,(H,19,20,23)
InChIKeyHBDRTZYXQAZPIT-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.33
Rot. Bonds3

About 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 127267283) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID127267283
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC Name8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)CC1COC2(CCCC2)CN1C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C17H25FN4O2/c1-21(2)10-14-11-24-17(7-3-4-8-17)12-22(14)16(23)20-15-6-5-13(18)9-19-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3,(H,19,20,23)
InChIKeyHBDRTZYXQAZPIT-UHFFFAOYSA-N
XLogP2.33
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.33
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-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 127267283) is 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is CN(C)CC1COC2(CCCC2)CN1C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is HBDRTZYXQAZPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-21(2)10-14-11-24-17(7-3-4-8-17)12-22(14)16(23)20-15-6-5-13(18)9-19-15/h5-6,9,14H,3-4,7-8,10-12H2,1-2H3,(H,19,20,23).
What are the key properties of 8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.33, 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-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 127267283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).