3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide

C14H22N2O5 — CID 130410728

IUPAC3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCOC)[nH]c(CO)cc1=O
InChIInChI=1S/C14H22N2O5/c1-3-4-6-21-13-11(18)8-10(9-17)16-12(13)14(19)15-5-7-20-2/h8,17H,3-7,9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyIMSBVJQGOQJAGS-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.42
Rot. Bonds9

About 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide

3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 130410728) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
PubChem CID130410728
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(=O)NCCOC)[nH]c(CO)cc1=O
InChIInChI=1S/C14H22N2O5/c1-3-4-6-21-13-11(18)8-10(9-17)16-12(13)14(19)15-5-7-20-2/h8,17H,3-7,9H2,1-2H3,(H,15,19)(H,16,18)
InChIKeyIMSBVJQGOQJAGS-UHFFFAOYSA-N
XLogP0.42
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide (CID 130410728) is 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide is CCCCOc1c(C(=O)NCCOC)[nH]c(CO)cc1=O.
What is the InChIKey of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is IMSBVJQGOQJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-3-4-6-21-13-11(18)8-10(9-17)16-12(13)14(19)15-5-7-20-2/h8,17H,3-7,9H2,1-2H3,(H,15,19)(H,16,18).
What are the key properties of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide?
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 0.42, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 130410728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).