5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide

C15H23N3O3 — CID 109103454

IUPAC5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCCOC)c1
InChIInChI=1S/C15H23N3O3/c1-4-5-7-18(2)15(20)13-9-12(10-16-11-13)14(19)17-6-8-21-3/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyUFSNEOGJIZYJLA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.33
Rot. Bonds8

About 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide

5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide (PubChem CID 109103454) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
PubChem CID109103454
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cncc(C(=O)NCCOC)c1
InChIInChI=1S/C15H23N3O3/c1-4-5-7-18(2)15(20)13-9-12(10-16-11-13)14(19)17-6-8-21-3/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyUFSNEOGJIZYJLA-UHFFFAOYSA-N
XLogP1.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-N-butyl-3-N-[(2-chlorophenyl)methyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109105659
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
3-N-pentyl-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109107218
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-N-butyl-3-N-(2-chlorophenyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109107345
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide (CID 109103454) is 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cncc(C(=O)NCCOC)c1.
What is the InChIKey of 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide?
The InChIKey is UFSNEOGJIZYJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-5-7-18(2)15(20)13-9-12(10-16-11-13)14(19)17-6-8-21-3/h9-11H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide?
5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-3-N-(2-methoxyethyl)-5-N-methylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).