3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide

C15H23N3O5 — CID 130410729

IUPAC3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide
SMILESC=Nn1c(CO)cc(=O)c(OCCCC)c1C(=O)NCCOC
InChIInChI=1S/C15H23N3O5/c1-4-5-7-23-14-12(20)9-11(10-19)18(16-2)13(14)15(21)17-6-8-22-3/h9,19H,2,4-8,10H2,1,3H3,(H,17,21)
InChIKeyIRISEUBUQAOCFW-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.36
Rot. Bonds10

About 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide

3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide (PubChem CID 130410729) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide
PubChem CID130410729
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide
SMILESC=Nn1c(CO)cc(=O)c(OCCCC)c1C(=O)NCCOC
InChIInChI=1S/C15H23N3O5/c1-4-5-7-23-14-12(20)9-11(10-19)18(16-2)13(14)15(21)17-6-8-22-3/h9,19H,2,4-8,10H2,1,3H3,(H,17,21)
InChIKeyIRISEUBUQAOCFW-UHFFFAOYSA-N
XLogP0.36
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxo-1H-pyridine-2-carboxamide
CID 130410728
1-amino-3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
CID 132123946
2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)-N-(2-methoxyethyl)acetamide
CID 16853213

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The IUPAC name of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide (CID 130410729) is 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide is C=Nn1c(CO)cc(=O)c(OCCCC)c1C(=O)NCCOC.
What is the InChIKey of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
The InChIKey is IRISEUBUQAOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-4-5-7-23-14-12(20)9-11(10-19)18(16-2)13(14)15(21)17-6-8-22-3/h9,19H,2,4-8,10H2,1,3H3,(H,17,21).
What are the key properties of 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide?
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 0.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-1-(methylideneamino)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 130410729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).