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

C17H26N2O4 — CID 71705754

IUPACN-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(CO)cc1=O
InChIInChI=1S/C17H26N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-13-7-5-3-2-4-6-8-13/h9-10,13,20H,2-8,11-12H2,1H3,(H,18,22)
InChIKeyILFAZTRPSDVVKR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.58
Rot. Bonds5

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

N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 71705754) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID71705754
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NC2CCCCCCC2)c(CO)cc1=O
InChIInChI=1S/C17H26N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-13-7-5-3-2-4-6-8-13/h9-10,13,20H,2-8,11-12H2,1H3,(H,18,22)
InChIKeyILFAZTRPSDVVKR-UHFFFAOYSA-N
XLogP1.58
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853183
N-cyclopentyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853182
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-isopropylacetamide
CID 16853211
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-(2-methoxyethyl)acetamide
CID 16853213
N-cyclopropyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 53368412
N-(2-(cyclohex-1-en-1-yl)ethyl)-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 53368692
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-isobutylacetamide
CID 56698847
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-isopentylacetamide
CID 56723694
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-(3-methoxypropyl)acetamide
CID 56763615
N-cyclooctyl-2-(5-methoxy-2-(morpholinomethyl)-4-oxopyridin-1(4H)-yl)acetamide
CID 71705764
N-cycloheptyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 71707660
N-cyclohexyl-2-[[6-(hydroxymethyl)-4-oxo-1H-pyridin-3-yl]oxy]-N-methylacetamide
CID 82063862

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 71705754) is N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NC2CCCCCCC2)c(CO)cc1=O.
What is the InChIKey of N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is ILFAZTRPSDVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-13-7-5-3-2-4-6-8-13/h9-10,13,20H,2-8,11-12H2,1H3,(H,18,22).
What are the key properties of N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 71705754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).