N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide

C11H16N2O3 — CID 107261784

IUPACN-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCOCCCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-16-8-3-2-7-12-11(15)9-5-4-6-10(14)13-9/h4-6H,2-3,7-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyZELUFNDPQJEBHD-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.53
Rot. Bonds6

About N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide

N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 107261784) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID107261784
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCOCCCCNC(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C11H16N2O3/c1-16-8-3-2-7-12-11(15)9-5-4-6-10(14)13-9/h4-6H,2-3,7-8H2,1H3,(H,12,15)(H,13,14)
InChIKeyZELUFNDPQJEBHD-UHFFFAOYSA-N
XLogP0.53
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.53
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

N-[2-(2-methoxyethylamino)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040293
6-oxo-N-(3-propan-2-yloxypropyl)-1H-pyridine-2-carboxamide
CID 107261519
N-[3-(diethylamino)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040308
N-(4-chloropentyl)-6-oxo-1H-pyridine-2-carboxamide
CID 106129299
N-[2-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261354
6-oxo-N-(2-sulfamoylethyl)-1H-pyridine-2-carboxamide
CID 107261803
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261496
N-[2-(methylamino)-2-oxoethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261659
6-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-pyridine-2-carboxamide
CID 107261483
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide (CID 107261784) is N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide is COCCCCNC(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZELUFNDPQJEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-8-3-2-7-12-11(15)9-5-4-6-10(14)13-9/h4-6H,2-3,7-8H2,1H3,(H,12,15)(H,13,14).
What are the key properties of N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide?
N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 107261784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).