4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

C17H19N3O3 — CID 109082319

IUPAC4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-23-10-9-19-17(22)15-11-14(7-8-18-15)16(21)20-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyOMVPDYPCTUDKRL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.39
Rot. Bonds7

About 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109082319) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109082319
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1
InChIInChI=1S/C17H19N3O3/c1-23-10-9-19-17(22)15-11-14(7-8-18-15)16(21)20-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyOMVPDYPCTUDKRL-UHFFFAOYSA-N
XLogP1.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.39
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

4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085284
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109082319) is 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is COCCNC(=O)c1cc(C(=O)NCc2ccccc2)ccn1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is OMVPDYPCTUDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-10-9-19-17(22)15-11-14(7-8-18-15)16(21)20-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).