5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

C15H23N3O3 — CID 109103452

IUPAC5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)4-5-17-14(19)12-8-13(10-16-9-12)15(20)18-6-7-21-3/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWOZQBQBYOPNIDI-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds8

About 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide

5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (PubChem CID 109103452) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
PubChem CID109103452
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
SMILESCOCCNC(=O)c1cncc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)4-5-17-14(19)12-8-13(10-16-9-12)15(20)18-6-7-21-3/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWOZQBQBYOPNIDI-UHFFFAOYSA-N
XLogP1.23
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
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

5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509
3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
5-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 46114981
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
3-N-(3-methylbutyl)-5-N-(2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107123
N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 54022575
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103432

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide (CID 109103452) is 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is COCCNC(=O)c1cncc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
The InChIKey is WOZQBQBYOPNIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)4-5-17-14(19)12-8-13(10-16-9-12)15(20)18-6-7-21-3/h8-11H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide?
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).