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

Analyze 1-butyl-4-ethyl-2-hydroxy-6-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).