4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

C20H25N3O2 — CID 109089662

IUPAC4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCCC(C)C)c2)cc1C
InChIInChI=1S/C20H25N3O2/c1-13(2)7-9-22-20(25)18-12-16(8-10-21-18)19(24)23-17-6-5-14(3)15(4)11-17/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLIXPTQONHJSJAJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.73
Rot. Bonds6

About 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (PubChem CID 109089662) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
PubChem CID109089662
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(=O)NCCC(C)C)c2)cc1C
InChIInChI=1S/C20H25N3O2/c1-13(2)7-9-22-20(25)18-12-16(8-10-21-18)19(24)23-17-6-5-14(3)15(4)11-17/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLIXPTQONHJSJAJ-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-bromo-4-methylphenyl)-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079869
2-N-(3,4-dimethylphenyl)-4-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109091918
ethyl 4-[[4-(3-methylbutylcarbamoyl)pyridine-2-carbonyl]amino]benzoate
CID 109089625
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089696
2-N-(3-chlorophenyl)-4-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091882
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
4-N-(3,4-dimethylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109091879
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (CID 109089662) is 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is Cc1ccc(NC(=O)c2ccnc(C(=O)NCCC(C)C)c2)cc1C.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The InChIKey is LIXPTQONHJSJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13(2)7-9-22-20(25)18-12-16(8-10-21-18)19(24)23-17-6-5-14(3)15(4)11-17/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).