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

C10H14N2O3 — CID 70820350

IUPAC3-butoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)[nH]ccc1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(13)4-5-12-8(9)10(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyREDMYMWVQMRMEZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds5

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

3-butoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 70820350) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-butoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-butoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID70820350
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-butoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCCCCOc1c(C(N)=O)[nH]ccc1=O
InChIInChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(13)4-5-12-8(9)10(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H,12,13)
InChIKeyREDMYMWVQMRMEZ-UHFFFAOYSA-N
XLogP0.65
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
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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Related Compounds

2-[(2-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 2726304
2-Aminomethyl-5-propoxy-pyridin-4-ol
CID 42625826
3-butoxy-2-methyl-1H-pyridin-4-one
CID 66596573
3-Ethoxy-2-methylpyridin-4(1H)-one
CID 67414765
3-butoxy-N-methyl-4-oxo-1H-pyridine-2-carboxamide
CID 67471510
1-amino-3-butoxy-N-methyl-4-oxopyridine-2-carboxamide
CID 67471513
1-amino-3-butoxy-4-oxo-N-propan-2-ylpyridine-2-carboxamide
CID 67471777
2-(aminomethyl)-5-butoxy-1H-pyridin-4-one
CID 67963609
3-butoxy-N-cyclopropyl-4-oxo-1H-pyridine-2-carboxamide
CID 68074288
azane;3-ethoxy-2-methyl-1H-pyridin-4-one
CID 68976230
1-Amino-3-butoxy-4-oxopyridine-2-carboxamide
CID 70820351
1-amino-3-butoxy-N-[2-(methylamino)ethyl]-4-oxopyridine-2-carboxamide
CID 70848482

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-butoxy-4-oxo-1H-pyridine-2-carboxamide (CID 70820350) is 3-butoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-butoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-butoxy-4-oxo-1H-pyridine-2-carboxamide is CCCCOc1c(C(N)=O)[nH]ccc1=O.
What is the InChIKey of 3-butoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is REDMYMWVQMRMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-3-6-15-9-7(13)4-5-12-8(9)10(11)14/h4-5H,2-3,6H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 3-butoxy-4-oxo-1H-pyridine-2-carboxamide?
3-butoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 210.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 70820350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).