N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide

C15H20N2O3 — CID 112729640

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C15H20N2O3/c1-11-2-3-12(10-16-11)14(18)17-13-4-6-15(7-5-13)19-8-9-20-15/h2-3,10,13H,4-9H2,1H3,(H,17,18)
InChIKeyJSMZZTOVARCRFD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.81
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide (PubChem CID 112729640) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
PubChem CID112729640
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C15H20N2O3/c1-11-2-3-12(10-16-11)14(18)17-13-4-6-15(7-5-13)19-8-9-20-15/h2-3,10,13H,4-9H2,1H3,(H,17,18)
InChIKeyJSMZZTOVARCRFD-UHFFFAOYSA-N
XLogP1.81
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-fluorobenzamide
CID 81422797
4-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluorobenzamide
CID 71936290
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide (CID 112729640) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is JSMZZTOVARCRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-2-3-12(10-16-11)14(18)17-13-4-6-15(7-5-13)19-8-9-20-15/h2-3,10,13H,4-9H2,1H3,(H,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 112729640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).