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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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).