3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid

C18H25N3O6 — CID 172912609

IUPAC3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
SMILESCN(C)CC1CC2(CCN(C(=O)c3ccc(O)cn3)CC2)C(=O)O1.O=CO
InChIInChI=1S/C17H23N3O4.CH2O2/c1-19(2)11-13-9-17(16(23)24-13)5-7-20(8-6-17)15(22)14-4-3-12(21)10-18-14;2-1-3/h3-4,10,13,21H,5-9,11H2,1-2H3;1H,(H,2,3)
InChIKeyINYZUYYVHMLZOS-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.59
Rot. Bonds3

About 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid

3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid (PubChem CID 172912609) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
PubChem CID172912609
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
SMILESCN(C)CC1CC2(CCN(C(=O)c3ccc(O)cn3)CC2)C(=O)O1.O=CO
InChIInChI=1S/C17H23N3O4.CH2O2/c1-19(2)11-13-9-17(16(23)24-13)5-7-20(8-6-17)15(22)14-4-3-12(21)10-18-14;2-1-3/h3-4,10,13,21H,5-9,11H2,1-2H3;1H,(H,2,3)
InChIKeyINYZUYYVHMLZOS-UHFFFAOYSA-N
XLogP0.59
TPSA120.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

8-benzoyl-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172663672
3-[(dimethylamino)methyl]-8-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172911380
3-[(dimethylamino)methyl]-8-(1-methyl-2-oxoquinoline-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910048
3-[(dimethylamino)methyl]-8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172912848
7-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]-4H-1,4-benzoxazin-3-one;formic acid
CID 172912347
3-[(dimethylamino)methyl]-8-(2-methyl-1-benzofuran-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910356
3-[(dimethylamino)methyl]-8-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172657954
8-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172913329
3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172664716
3-[(dimethylamino)methyl]-8-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172911692
3-[(dimethylamino)methyl]-8-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910451
8-[2-(difluoromethoxy)benzoyl]-3-[(dimethylamino)methyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172666588

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid?
The IUPAC name of 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid (CID 172912609) is 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid.
What is the SMILES notation for 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid?
The canonical SMILES for 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid is CN(C)CC1CC2(CCN(C(=O)c3ccc(O)cn3)CC2)C(=O)O1.O=CO.
What is the InChIKey of 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid?
The InChIKey is INYZUYYVHMLZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4.CH2O2/c1-19(2)11-13-9-17(16(23)24-13)5-7-20(8-6-17)15(22)14-4-3-12(21)10-18-14;2-1-3/h3-4,10,13,21H,5-9,11H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid?
3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid has a molecular weight of 379.41 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-8-(5-hydroxypyridine-2-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid is sourced from PubChem (CID 172912609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).