2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C20H17FN2O2 — CID 14555282

IUPAC2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2/c1-14-4-6-15(7-5-14)13-23-19(24)18-3-2-12-22-20(18)25-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyHUSMLXYFWREJSD-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.25
Rot. Bonds5

About 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 14555282) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID14555282
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FN2O2/c1-14-4-6-15(7-5-14)13-23-19(24)18-3-2-12-22-20(18)25-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)
InChIKeyHUSMLXYFWREJSD-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 14555282) is 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is HUSMLXYFWREJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-14-4-6-15(7-5-14)13-23-19(24)18-3-2-12-22-20(18)25-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24).
What are the key properties of 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 14555282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).