N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide

C20H17FN2O — CID 52943300

IUPACN-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H17FN2O/c1-13-7-14(2)9-19(8-13)23-20(24)17-10-16(11-22-12-17)15-3-5-18(21)6-4-15/h3-12H,1-2H3,(H,23,24)
InChIKeyXJXXETPSJSPVGG-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.76
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 52943300) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID52943300
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC NameN-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cncc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H17FN2O/c1-13-7-14(2)9-19(8-13)23-20(24)17-10-16(11-22-12-17)15-3-5-18(21)6-4-15/h3-12H,1-2H3,(H,23,24)
InChIKeyXJXXETPSJSPVGG-UHFFFAOYSA-N
XLogP4.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide (CID 52943300) is N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cncc(-c3ccc(F)cc3)c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is XJXXETPSJSPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-13-7-14(2)9-19(8-13)23-20(24)17-10-16(11-22-12-17)15-3-5-18(21)6-4-15/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 52943300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).