1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide

C12H18N2O3 — CID 22761577

IUPAC1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide
SMILESCCCCn1c(O)c(C(N)=O)c(CC)cc1=O
InChIInChI=1S/C12H18N2O3/c1-3-5-6-14-9(15)7-8(4-2)10(11(13)16)12(14)17/h7,17H,3-6H2,1-2H3,(H2,13,16)
InChIKeyWVUIUEVYMFCPSQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.02
Rot. Bonds5

About 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide

1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide (PubChem CID 22761577) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide
PubChem CID22761577
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide
SMILESCCCCn1c(O)c(C(N)=O)c(CC)cc1=O
InChIInChI=1S/C12H18N2O3/c1-3-5-6-14-9(15)7-8(4-2)10(11(13)16)12(14)17/h7,17H,3-6H2,1-2H3,(H2,13,16)
InChIKeyWVUIUEVYMFCPSQ-UHFFFAOYSA-N
XLogP1.02
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, 1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
CID 120131
1-Butyl-2-hydroxy-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
CID 150371565
2-Hydroxy-6-oxo-1-propyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 151636463
5-acetyl-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-hydroxy-3,4-dimethylpyridin-2-one
CID 135429776
ST50979899
CID 572786
5-Acetyl-1-butyl-6-hydroxy-4-methylpyridin-2-one
CID 12529532
2-Hydroxy-4-methyl-1-(2-methylpropyl)-6-oxopyridine-3-carboxamide
CID 15131400
2-Hydroxy-4-methyl-6-oxo-1-propylpyridine-3-carboxamide
CID 15216538
1-Butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 15216539
1-(2-Aminoethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 18185927
N-[(1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methyl]acetamide
CID 20518071
1-Butyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 20541688

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide (CID 22761577) is 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide is CCCCn1c(O)c(C(N)=O)c(CC)cc1=O.
What is the InChIKey of 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide?
The InChIKey is WVUIUEVYMFCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-5-6-14-9(15)7-8(4-2)10(11(13)16)12(14)17/h7,17H,3-6H2,1-2H3,(H2,13,16).
What are the key properties of 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide?
1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 22761577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).