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

C21H17ClFN3O2 — CID 109108356

IUPAC3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C21H17ClFN3O2/c1-12-5-13(2)7-17(6-12)26-21(28)15-8-14(10-24-11-15)20(27)25-16-3-4-19(23)18(22)9-16/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKeyJYTJUYJECGJEKK-UHFFFAOYSA-N
MW397.84 g/mol
LogP5.00
Rot. Bonds4

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

3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109108356) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109108356
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1
InChIInChI=1S/C21H17ClFN3O2/c1-12-5-13(2)7-17(6-12)26-21(28)15-8-14(10-24-11-15)20(27)25-16-3-4-19(23)18(22)9-16/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKeyJYTJUYJECGJEKK-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

N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
N-(3-chloro-4-fluorophenyl)-5-(3,4-dimethylanilino)pyridine-3-carboxamide
CID 109242960
5-N-(3-chloro-4-fluorophenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101837
N-(3-chloro-4-fluorophenyl)-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109243498
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
5-(3-chloro-4-fluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242674
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
5-N-(2-chlorophenyl)-3-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107934
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide (CID 109108356) is 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide is Cc1cc(C)cc(NC(=O)c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2)c1.
What is the InChIKey of 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is JYTJUYJECGJEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c1-12-5-13(2)7-17(6-12)26-21(28)15-8-14(10-24-11-15)20(27)25-16-3-4-19(23)18(22)9-16/h3-11H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide?
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-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 3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109108356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).