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

C11H16N2O3 — CID 15216539

IUPAC1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-13-8(14)6-7(2)9(10(12)15)11(13)16/h6,16H,3-5H2,1-2H3,(H2,12,15)
InChIKeyOLCMHMNNNSSYLJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.76
Rot. Bonds4

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

1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (PubChem CID 15216539) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
PubChem CID15216539
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
SMILESCCCCn1c(O)c(C(N)=O)c(C)cc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-5-13-8(14)6-7(2)9(10(12)15)11(13)16/h6,16H,3-5H2,1-2H3,(H2,12,15)
InChIKeyOLCMHMNNNSSYLJ-UHFFFAOYSA-N
XLogP0.76
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide (CID 15216539) is 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is CCCCn1c(O)c(C(N)=O)c(C)cc1=O.
What is the InChIKey of 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is OLCMHMNNNSSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-5-13-8(14)6-7(2)9(10(12)15)11(13)16/h6,16H,3-5H2,1-2H3,(H2,12,15).
What are the key properties of 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide?
1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 15216539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).