3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide

C11H16N2O3 — CID 67471510

IUPAC3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-7-16-10-8(14)5-6-13-9(10)11(15)12-2/h5-6H,3-4,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNYYSJMKODIBVMC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.91
Rot. Bonds5

About 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide

3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 67471510) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
PubChem CID67471510
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NC)[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-4-7-16-10-8(14)5-6-13-9(10)11(15)12-2/h5-6H,3-4,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNYYSJMKODIBVMC-UHFFFAOYSA-N
XLogP0.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide (CID 67471510) is 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide is CCCCOc1c(C(=O)NC)[nH]ccc1=O.
What is the InChIKey of 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is NYYSJMKODIBVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-4-7-16-10-8(14)5-6-13-9(10)11(15)12-2/h5-6H,3-4,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide?
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 67471510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).