N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide

C21H33N3O4 — CID 71705764

IUPACN-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(CN2CCOCC2)cc1=O
InChIInChI=1S/C21H33N3O4/c1-27-20-15-24(16-21(26)22-17-7-5-3-2-4-6-8-17)18(13-19(20)25)14-23-9-11-28-12-10-23/h13,15,17H,2-12,14,16H2,1H3,(H,22,26)
InChIKeyYRQCHCAUGBMGEF-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.92
Rot. Bonds6

About N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide

N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide (PubChem CID 71705764) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
PubChem CID71705764
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC NameN-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(CN2CCOCC2)cc1=O
InChIInChI=1S/C21H33N3O4/c1-27-20-15-24(16-21(26)22-17-7-5-3-2-4-6-8-17)18(13-19(20)25)14-23-9-11-28-12-10-23/h13,15,17H,2-12,14,16H2,1H3,(H,22,26)
InChIKeyYRQCHCAUGBMGEF-UHFFFAOYSA-N
XLogP1.92
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-((4-acetylpiperazin-1-yl)methyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-cyclohexylacetamide
CID 18566947
N-cyclohexyl-2-(5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl)acetamide
CID 44015419
N-isopropyl-2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]acetamide
CID 27532517
N-cyclopentyl-2-(5-methoxy-2-(morpholinomethyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 44894737
N-cyclooctyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 71705754
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93070104
Ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate
CID 18566888
N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566899
2-[5-Methoxy-4-oxo-2-(piperidinomethyl)-1(4H)-pyridinyl]-N~1~-propylacetamide
CID 27636523
Ethyl 2-(2-{5-methoxy-2-[(4-methylpiperidin-1-YL)methyl]-4-oxo-1,4-dihydropyridin-1-YL}acetamido)acetate
CID 27646389
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 50807504
2-{2-[(4-Acetylpiperazin-1-YL)methyl]-5-methoxy-4-oxo-1,4-dihydropyridin-1-YL}-N-cyclopentylacetamide
CID 18566946

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide (CID 71705764) is N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NC2CCCCCCC2)c(CN2CCOCC2)cc1=O.
What is the InChIKey of N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide?
The InChIKey is YRQCHCAUGBMGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-27-20-15-24(16-21(26)22-17-7-5-3-2-4-6-8-17)18(13-19(20)25)14-23-9-11-28-12-10-23/h13,15,17H,2-12,14,16H2,1H3,(H,22,26).
What are the key properties of N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide?
N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide has a molecular weight of 391.51 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 71705764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).