2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide

C21H17ClFN3O2 — CID 109100408

IUPAC2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)n2)c1
InChIInChI=1S/C21H17ClFN3O2/c1-12-6-7-13(2)19(10-12)26-21(28)18-5-3-4-17(25-18)20(27)24-14-8-9-16(23)15(22)11-14/h3-11H,1-2H3,(H,24,27)(H,26,28)
InChIKeyPZBBQAMLNPTLLB-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.00
Rot. Bonds4

About 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide

2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide (PubChem CID 109100408) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
PubChem CID109100408
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)n2)c1
InChIInChI=1S/C21H17ClFN3O2/c1-12-6-7-13(2)19(10-12)26-21(28)18-5-3-4-17(25-18)20(27)24-14-8-9-16(23)15(22)11-14/h3-11H,1-2H3,(H,24,27)(H,26,28)
InChIKeyPZBBQAMLNPTLLB-UHFFFAOYSA-N
XLogP5.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(2,5-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100172
6-[(2,5-dimethylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558433
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
6-N-(3,4-difluorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109100456
2-N-(3,4-dimethylphenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100442
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
6-fluoro-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 115496741
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
6-N-(2-fluorophenyl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100120
N-(2,5-dimethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62239438
N-(3,4-dichlorophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314882
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide (CID 109100408) is 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide is Cc1ccc(C)c(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)n2)c1.
What is the InChIKey of 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide?
The InChIKey is PZBBQAMLNPTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-12-6-7-13(2)19(10-12)26-21(28)18-5-3-4-17(25-18)20(27)24-14-8-9-16(23)15(22)11-14/h3-11H,1-2H3,(H,24,27)(H,26,28).
What are the key properties of 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide?
2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-4-fluorophenyl)-6-N-(2,5-dimethylphenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).