2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide

C14H22N2O4 — CID 56723694

IUPAC2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCOc1cn(CC(=O)NCCC(C)C)c(CO)cc1=O
InChIInChI=1S/C14H22N2O4/c1-10(2)4-5-15-14(19)8-16-7-13(20-3)12(18)6-11(16)9-17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyHNFQVTMKHMYPDL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.51
Rot. Bonds7

About 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide

2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide (PubChem CID 56723694) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
PubChem CID56723694
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide
SMILESCOc1cn(CC(=O)NCCC(C)C)c(CO)cc1=O
InChIInChI=1S/C14H22N2O4/c1-10(2)4-5-15-14(19)8-16-7-13(20-3)12(18)6-11(16)9-17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,19)
InChIKeyHNFQVTMKHMYPDL-UHFFFAOYSA-N
XLogP0.51
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-5-methoxy-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4(1H)-pyridinone
CID 16853128
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
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
CID 130410728
2-[2-(Hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853138
N-cyclopentyl-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 16853182
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(oxolan-2-ylmethyl)acetamide
CID 16853189
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide (CID 56723694) is 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide is COc1cn(CC(=O)NCCC(C)C)c(CO)cc1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
The InChIKey is HNFQVTMKHMYPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-10(2)4-5-15-14(19)8-16-7-13(20-3)12(18)6-11(16)9-17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,19).
What are the key properties of 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide?
2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide has a molecular weight of 282.34 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 56723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).