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

C14H20N2O5 — CID 16853189

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CO)cc1=O
InChIInChI=1S/C14H20N2O5/c1-20-13-7-16(10(9-17)5-12(13)18)8-14(19)15-6-11-3-2-4-21-11/h5,7,11,17H,2-4,6,8-9H2,1H3,(H,15,19)
InChIKeyIBBYUQWDPYKXJC-UHFFFAOYSA-N
MW296.32 g/mol
LogP-0.36
Rot. Bonds6

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

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16853189) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16853189
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cn(CC(=O)NCC2CCCO2)c(CO)cc1=O
InChIInChI=1S/C14H20N2O5/c1-20-13-7-16(10(9-17)5-12(13)18)8-14(19)15-6-11-3-2-4-21-11/h5,7,11,17H,2-4,6,8-9H2,1H3,(H,15,19)
InChIKeyIBBYUQWDPYKXJC-UHFFFAOYSA-N
XLogP-0.36
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[(R)-perhydro-2-furyl]methyl}{2-[(1-azepanyl)methyl]-5-methoxy-4-oxo-1,4-dihydro-1-pyridyl}acetamide
CID 41148182
N-cyclohexyl-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide
CID 16853183
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93070104
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)pyridin-1(4H)-yl]-N-(tetrahydrofuran-2-ylmethyl)acetamide
CID 50807504
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-(2-methoxyethyl)acetamide
CID 16853213
2-(2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 18566933
2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41148179
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 44826934
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide (CID 16853189) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is COc1cn(CC(=O)NCC2CCCO2)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IBBYUQWDPYKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-20-13-7-16(10(9-17)5-12(13)18)8-14(19)15-6-11-3-2-4-21-11/h5,7,11,17H,2-4,6,8-9H2,1H3,(H,15,19).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 296.32 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16853189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).