3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

C19H23N3O2 — CID 109102007

IUPAC3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C19H23N3O2/c1-3-5-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-9-7-6-8-14(17)4-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBCESMKOLPMVIMK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.43
Rot. Bonds7

About 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide

3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109102007) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109102007
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)Nc2ccccc2CC)c1
InChIInChI=1S/C19H23N3O2/c1-3-5-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-9-7-6-8-14(17)4-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBCESMKOLPMVIMK-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-(2-ethylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103642
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109101623
5-N-tert-butyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109106923
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303
N-(2-ethylphenyl)-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109243335
5-N-(3-acetamidophenyl)-3-N-butylpyridine-3,5-dicarboxamide
CID 109102049
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107229

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide (CID 109102007) is 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is CCCCNC(=O)c1cncc(C(=O)Nc2ccccc2CC)c1.
What is the InChIKey of 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is BCESMKOLPMVIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-5-10-21-18(23)15-11-16(13-20-12-15)19(24)22-17-9-7-6-8-14(17)4-2/h6-9,11-13H,3-5,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide?
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109102007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).