4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide

C19H23N3O2 — CID 109079275

IUPAC4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-4-5-7-21-18(23)15-6-8-20-17(12-15)19(24)22-16-10-13(2)9-14(3)11-16/h6,8-12H,4-5,7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyTUXNVAIVPGXQCT-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.48
Rot. Bonds6

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

4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109079275) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109079275
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23N3O2/c1-4-5-7-21-18(23)15-6-8-20-17(12-15)19(24)22-16-10-13(2)9-14(3)11-16/h6,8-12H,4-5,7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyTUXNVAIVPGXQCT-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.48
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-(3,5-dimethylphenyl)-2-N-pentylpyridine-2,4-dicarboxamide
CID 109089858
4-N-butyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079284
4-N-butyl-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109079293
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
4-N-butyl-2-N-(3,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109079353
4-N-pentyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089770
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109079488
2-N-(3,5-dimethylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087538
2-N-butyl-4-N-(4-tert-butylphenyl)pyridine-2,4-dicarboxamide
CID 109079477
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide (CID 109079275) is 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is TUXNVAIVPGXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-5-7-21-18(23)15-6-8-20-17(12-15)19(24)22-16-10-13(2)9-14(3)11-16/h6,8-12H,4-5,7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide?
4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).