2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide

C22H33N3O4 — CID 126467345

IUPAC2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCC3(CCN(CC=C(C)C)CC3)O2)c(OC)n1
InChIInChI=1S/C22H33N3O4/c1-16(2)8-12-25-13-10-22(11-14-25)9-7-17(29-22)15-23-20(26)18-5-6-19(27-3)24-21(18)28-4/h5-6,8,17H,7,9-15H2,1-4H3,(H,23,26)
InChIKeyGZESCVVHWWQXHW-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.81
Rot. Bonds7

About 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide

2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 126467345) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide
PubChem CID126467345
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Name2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCC3(CCN(CC=C(C)C)CC3)O2)c(OC)n1
InChIInChI=1S/C22H33N3O4/c1-16(2)8-12-25-13-10-22(11-14-25)9-7-17(29-22)15-23-20(26)18-5-6-19(27-3)24-21(18)28-4/h5-6,8,17H,7,9-15H2,1-4H3,(H,23,26)
InChIKeyGZESCVVHWWQXHW-UHFFFAOYSA-N
XLogP2.81
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 126462854
2,6-dimethoxy-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91914773
1-[[(2S)-8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1H-pyridin-3-yl)urea
CID 125179435
methyl 2-[(2R,5S)-5-[[(2,6-dimethoxypyridine-3-carbonyl)amino]methyl]-1-methylpyrrolidin-2-yl]acetate
CID 165425398
2-methyl-N-[[(2S)-8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 42247929
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
4-methyl-1-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-oxopyridine-3-carboxylic acid
CID 170503698
N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 45166399
2-methoxy-N-[[8-[(E)-2-methyl-3-phenylprop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 126463646
2-methyl-N-[[8-[(3-methylthiophen-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 45181727
N-[[8-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 75099032
N-[[8-[(2-methoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 45210366

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide (CID 126467345) is 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCC2CCC3(CCN(CC=C(C)C)CC3)O2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GZESCVVHWWQXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-16(2)8-12-25-13-10-22(11-14-25)9-7-17(29-22)15-23-20(26)18-5-6-19(27-3)24-21(18)28-4/h5-6,8,17H,7,9-15H2,1-4H3,(H,23,26).
What are the key properties of 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 403.52 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[[8-(3-methylbut-2-enyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126467345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).