5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide

C20H25N3O2 — CID 109107229

IUPAC5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-4-5-6-9-22-19(24)16-11-17(13-21-12-16)20(25)23-18-10-14(2)7-8-15(18)3/h7-8,10-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKLTAYNHOZVOYQJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.87
Rot. Bonds7

About 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide

5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide (PubChem CID 109107229) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
PubChem CID109107229
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C20H25N3O2/c1-4-5-6-9-22-19(24)16-11-17(13-21-12-16)20(25)23-18-10-14(2)7-8-15(18)3/h7-8,10-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyKLTAYNHOZVOYQJ-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.87
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

N-(2,5-dimethylphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240144
5-N-(2,4-dichlorophenyl)-3-N-pentylpyridine-3,5-dicarboxamide
CID 109107296
ethyl 2-[[5-(pentylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109107303
3-N-butyl-5-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109102018
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757
3-N-butyl-5-N-(3-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109102023
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
N-(2,5-dimethylphenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109242782
5-N-benzyl-3-N-(2,5-dimethylphenyl)-5-N-ethylpyridine-3,5-dicarboxamide
CID 109105863
5-(4-acetamidoanilino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242811

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide (CID 109107229) is 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide is CCCCCNC(=O)c1cncc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
The InChIKey is KLTAYNHOZVOYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-6-9-22-19(24)16-11-17(13-21-12-16)20(25)23-18-10-14(2)7-8-15(18)3/h7-8,10-13H,4-6,9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide?
5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,5-dimethylphenyl)-3-N-pentylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109107229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).