N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide

C17H24N2O4 — CID 53368692

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCCC2=CCCCC2)c(CO)cc1=O
InChIInChI=1S/C17H24N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-8-7-13-5-3-2-4-6-13/h5,9-10,20H,2-4,6-8,11-12H2,1H3,(H,18,22)
InChIKeyDCOPWJYPBUFQNU-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.36
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (PubChem CID 53368692) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
PubChem CID53368692
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCCC2=CCCCC2)c(CO)cc1=O
InChIInChI=1S/C17H24N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-8-7-13-5-3-2-4-6-13/h5,9-10,20H,2-4,6-8,11-12H2,1H3,(H,18,22)
InChIKeyDCOPWJYPBUFQNU-UHFFFAOYSA-N
XLogP1.36
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853183
N-cyclooctyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 71705754
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-[2-(cyclohex-1-en-1-yl)ethyl]-4-hydroxy-5-methoxypyridine-2-carboxamide
CID 27448439
N-[2-(cyclohexen-1-yl)ethyl]-5-ethoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448613
N-cyclopropyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 53368412
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-methoxy-1-methyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 53370663
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
N-(bicyclo[2.2.1]hept-5-en-2-ylmethyl)-2-[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl]acetamide
CID 56762002

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide (CID 53368692) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NCCC2=CCCCC2)c(CO)cc1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
The InChIKey is DCOPWJYPBUFQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-16-10-19(14(12-20)9-15(16)21)11-17(22)18-8-7-13-5-3-2-4-6-13/h5,9-10,20H,2-4,6-8,11-12H2,1H3,(H,18,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 53368692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).