N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C13H20N2O4 — CID 103696255

IUPACN-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCOCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O4/c1-10-8-12(16)11(9-15-10)13(17)14-4-3-5-19-7-6-18-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMLIJPVDVJGTWPE-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.47
Rot. Bonds8

About N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696255) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696255
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCOCCOCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H20N2O4/c1-10-8-12(16)11(9-15-10)13(17)14-4-3-5-19-7-6-18-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyMLIJPVDVJGTWPE-UHFFFAOYSA-N
XLogP0.47
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 113242386
N-[2-(2-methoxyethylamino)-2-oxoethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696535
methyl 3-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 103696316
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
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-(4-methylsulfanylbutyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718186
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-pent-3-ynyl-1H-pyridine-3-carboxamide
CID 104581008

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103696255) is N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is COCCOCCCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MLIJPVDVJGTWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-10-8-12(16)11(9-15-10)13(17)14-4-3-5-19-7-6-18-2/h8-9H,3-7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).