1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

C18H21N3O4 — CID 135341844

IUPAC1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCOC)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O4/c1-19-17(23)15-10-14(16(22)20-8-9-25-2)12-21(18(15)24)11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLTDMXYJCXCTKLZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.63
Rot. Bonds7

About 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide

1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (PubChem CID 135341844) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
PubChem CID135341844
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCOC)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C18H21N3O4/c1-19-17(23)15-10-14(16(22)20-8-9-25-2)12-21(18(15)24)11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyLTDMXYJCXCTKLZ-UHFFFAOYSA-N
XLogP0.63
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-N5-cyclopropyl-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide
CID 126648559
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[(1R)-1-phenylethyl]pyridine-3,5-dicarboxamide
CID 126676281
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
N-benzyl-1-(3-methylbutyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 71660103
N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16679589
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
n3-(Cyclohexyl)-4-oxo-1-pentyl-6-phenyl-1,4-dihydropyridine-3-carboxamide
CID 49820013
N-benzyl-1-butyl-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carboxamide
CID 59718847
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-4-carboxamide
CID 71571201
5-N-cyclopropyl-1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648589
1-benzyl-5-N-cyclobutyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126648780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide (CID 135341844) is 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NCCOC)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is LTDMXYJCXCTKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-19-17(23)15-10-14(16(22)20-8-9-25-2)12-21(18(15)24)11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide?
1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 343.38 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-(2-methoxyethyl)-3-N-methyl-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 135341844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).