5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C20H17FN2O — CID 53020754

IUPAC5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H17FN2O/c1-14-3-2-4-15(9-14)11-23-20(24)18-10-17(12-22-13-18)16-5-7-19(21)8-6-16/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyGQAOKXCCLMXUDB-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.13
Rot. Bonds4

About 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 53020754) has the molecular formula C20H17FN2O and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID53020754
Molecular FormulaC20H17FN2O
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H17FN2O/c1-14-3-2-4-15(9-14)11-23-20(24)18-10-17(12-22-13-18)16-5-7-19(21)8-6-16/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyGQAOKXCCLMXUDB-UHFFFAOYSA-N
XLogP4.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 53020754) is 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GQAOKXCCLMXUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O/c1-14-3-2-4-15(9-14)11-23-20(24)18-10-17(12-22-13-18)16-5-7-19(21)8-6-16/h2-10,12-13H,11H2,1H3,(H,23,24).
What are the key properties of 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53020754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).