3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide

C13H20N2O5 — CID 71030988

IUPAC3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)n(CC(O)CO)ccc1=O
InChIInChI=1S/C13H20N2O5/c1-2-3-6-20-12-10(18)4-5-15(7-9(17)8-16)11(12)13(14)19/h4-5,9,16-17H,2-3,6-8H2,1H3,(H2,14,19)
InChIKeyRRQFDFPYZSGKPV-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.52
Rot. Bonds8

About 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide

3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide (PubChem CID 71030988) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
PubChem CID71030988
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)n(CC(O)CO)ccc1=O
InChIInChI=1S/C13H20N2O5/c1-2-3-6-20-12-10(18)4-5-15(7-9(17)8-16)11(12)13(14)19/h4-5,9,16-17H,2-3,6-8H2,1H3,(H2,14,19)
InChIKeyRRQFDFPYZSGKPV-UHFFFAOYSA-N
XLogP-0.52
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-2-ethyl-1-(2-hydroxyethyl)pyridin-4-one
CID 90068928
ethyl 1-(2,3-dihydroxypropyl)-3-methylpyrrole-2-carboxylate
CID 105421719
5-bromo-3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carbaldehyde
CID 88544389
1-(2,3-dihydroxypropyl)-2-ethyl-3-hydroxypyridin-4-one
CID 20688190
N-[[3-(aminomethyl)-5,7-bis[[[1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carbonyl]amino]methyl]-1-adamantyl]methyl]-1-(2,3-dihydroxypropyl)-4-oxo-3-phenylmethoxypyridine-2-carboxamide
CID 25234889
3-butoxy-1-[1-(hydroxymethyl)cyclopropyl]-N',N'-dimethyl-4-oxopyridine-2-carbohydrazide
CID 121404102
3-butoxy-N-ethyl-1-[3-(hydroxymethyl)oxetan-3-yl]-4-oxopyridine-2-carboxamide
CID 121401640
3-butoxy-N-[7-[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]-4-[[[3-butoxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]methyl]-6-methylheptyl]-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 88560108
4-butoxy-3,5-diiodobenzamide
CID 24834301
methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
CID 129018248
3-butoxy-1-methyl-2-oxopyridine-4-carbonyl chloride
CID 90075769
tert-butyl N-[2-[(1-amino-3-butoxy-4-oxopyridine-2-carbonyl)amino]ethyl]-N-methylcarbamate
CID 67471526

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide (CID 71030988) is 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide is CCCCOc1c(C(N)=O)n(CC(O)CO)ccc1=O.
What is the InChIKey of 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide?
The InChIKey is RRQFDFPYZSGKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-2-3-6-20-12-10(18)4-5-15(7-9(17)8-16)11(12)13(14)19/h4-5,9,16-17H,2-3,6-8H2,1H3,(H2,14,19).
What are the key properties of 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide?
3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-(2,3-dihydroxypropyl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 71030988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).