N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide

C15H20N2O3 — CID 78950976

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-11-13(3-2-8-16-11)14(18)17-12-4-6-15(7-5-12)19-9-10-20-15/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyVAVRYTAPRZFVGG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.81
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide (PubChem CID 78950976) 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)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
PubChem CID78950976
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-11-13(3-2-8-16-11)14(18)17-12-4-6-15(7-5-12)19-9-10-20-15/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyVAVRYTAPRZFVGG-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-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 47249822
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridin-3-amine
CID 79042500
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzamide
CID 112729579
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carboxamide
CID 112729640
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-2-methylbenzamide
CID 112729639
2-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 75506217
2-methyl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-3-carboxamide
CID 10199216
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
4-bromo-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-hydroxybenzamide
CID 78980766
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidine-5-carboxamide
CID 104626056
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1,3-thiazole-4-carboxamide
CID 78926012

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide (CID 78950976) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide?
The InChIKey is VAVRYTAPRZFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-13(3-2-8-16-11)14(18)17-12-4-6-15(7-5-12)19-9-10-20-15/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-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)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 78950976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).