N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide

C18H26N2O3 — CID 136559330

IUPACN-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-13-9-14(2)16(19-10-13)17(21)20-11-15-3-4-18(12-23-15)5-7-22-8-6-18/h9-10,15H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyVJNZDXSHGCFKEC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.40
Rot. Bonds3

About N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide

N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide (PubChem CID 136559330) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
PubChem CID136559330
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1
InChIInChI=1S/C18H26N2O3/c1-13-9-14(2)16(19-10-13)17(21)20-11-15-3-4-18(12-23-15)5-7-22-8-6-18/h9-10,15H,3-8,11-12H2,1-2H3,(H,20,21)
InChIKeyVJNZDXSHGCFKEC-UHFFFAOYSA-N
XLogP2.40
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
CID 164635535
4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118741564
3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide
CID 138022277
N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166269415
ethane;3-ethyl-2,9-dioxaspiro[5.5]undecane
CID 178155976
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
CID 146675190
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 118741565
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
2-(2,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252405

Frequently Asked Questions

What is the IUPAC name of N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide (CID 136559330) is N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)NCC2CCC3(CCOCC3)CO2)c(C)c1.
What is the InChIKey of N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide?
The InChIKey is VJNZDXSHGCFKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-9-14(2)16(19-10-13)17(21)20-11-15-3-4-18(12-23-15)5-7-22-8-6-18/h9-10,15H,3-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide?
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 136559330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).