4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109089858

IUPAC4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C20H25N3O2/c1-4-5-6-8-22-20(25)18-13-16(7-9-21-18)19(24)23-17-11-14(2)10-15(3)12-17/h7,9-13H,4-6,8H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLZSKSCDOOPXUNP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.87
Rot. Bonds7

About 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide

4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide (PubChem CID 109089858) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
PubChem CID109089858
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccn1
InChIInChI=1S/C20H25N3O2/c1-4-5-6-8-22-20(25)18-13-16(7-9-21-18)19(24)23-17-11-14(2)10-15(3)12-17/h7,9-13H,4-6,8H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyLZSKSCDOOPXUNP-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

4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079488
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
2-N-benzyl-4-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085444
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
4-N-(4-bromophenyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077938

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide (CID 109089858) is 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide is CCCCCNC(=O)c1cc(C(=O)Nc2cc(C)cc(C)c2)ccn1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide?
The InChIKey is LZSKSCDOOPXUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-6-8-22-20(25)18-13-16(7-9-21-18)19(24)23-17-11-14(2)10-15(3)12-17/h7,9-13H,4-6,8H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide?
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-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 4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).