N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 113242386

IUPACN-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVFYABXKIPFRWFS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.84
Rot. Bonds6

About N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 113242386) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID113242386
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C12H18N2O3/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyVFYABXKIPFRWFS-UHFFFAOYSA-N
XLogP0.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.84
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-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
6-methyl-N-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
N-(2-aminoethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103804777
6-methyl-4-oxo-N-(2-propan-2-yloxyethyl)-1H-pyridine-3-carboxamide
CID 104578609
N-(4-hydroxypentyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 107299631
6-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717570
N-(2-hydroxy-3-methoxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113278446
N-[2-(ethylamino)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103806326
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
6-methyl-4-oxo-N-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 113242386) is N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is COCCCCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VFYABXKIPFRWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-7-11(15)10(8-14-9)12(16)13-5-3-4-6-17-2/h7-8H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.84, 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-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113242386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).