4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide

C21H27N3O2 — CID 109089770

IUPAC4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H27N3O2/c1-5-6-7-9-23-20(25)17-8-10-22-18(13-17)21(26)24-19-15(3)11-14(2)12-16(19)4/h8,10-13H,5-7,9H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVXCXBZAACCAJIR-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.18
Rot. Bonds7

About 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide

4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109089770) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109089770
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C21H27N3O2/c1-5-6-7-9-23-20(25)17-8-10-22-18(13-17)21(26)24-19-15(3)11-14(2)12-16(19)4/h8,10-13H,5-7,9H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyVXCXBZAACCAJIR-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.18
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-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079488
2-N-(2,6-difluorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089838
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079275
4-N-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
4-N-[(4-methylphenyl)methyl]-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109085890
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-(2,4-dichlorophenyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109089825
4-N-[(2-methylphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109085533
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529

Frequently Asked Questions

What is the IUPAC name of 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide (CID 109089770) is 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide is CCCCCNC(=O)c1ccnc(C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is VXCXBZAACCAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-6-7-9-23-20(25)17-8-10-22-18(13-17)21(26)24-19-15(3)11-14(2)12-16(19)4/h8,10-13H,5-7,9H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide?
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).