N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide

C20H14F4N2O2 — CID 88747853

IUPACN-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide
SMILESCc1c(F)c(F)cc(Oc2ncccc2C(=O)N(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C20H14F4N2O2/c1-11-17(23)15(22)10-16(18(11)24)28-19-14(4-3-9-25-19)20(27)26(2)13-7-5-12(21)6-8-13/h3-10H,1-2H3
InChIKeyQGEMKOUQHSJUQL-UHFFFAOYSA-N
MW390.34 g/mol
LogP5.02
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide

N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide (PubChem CID 88747853) has the molecular formula C20H14F4N2O2 and a molecular weight of 390.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide
PubChem CID88747853
Molecular FormulaC20H14F4N2O2
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC NameN-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide
SMILESCc1c(F)c(F)cc(Oc2ncccc2C(=O)N(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C20H14F4N2O2/c1-11-17(23)15(22)10-16(18(11)24)28-19-14(4-3-9-25-19)20(27)26(2)13-7-5-12(21)6-8-13/h3-10H,1-2H3
InChIKeyQGEMKOUQHSJUQL-UHFFFAOYSA-N
XLogP5.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide (CID 88747853) is N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide is Cc1c(F)c(F)cc(Oc2ncccc2C(=O)N(C)c2ccc(F)cc2)c1F.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide?
The InChIKey is QGEMKOUQHSJUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O2/c1-11-17(23)15(22)10-16(18(11)24)28-19-14(4-3-9-25-19)20(27)26(2)13-7-5-12(21)6-8-13/h3-10H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide?
N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-2-(2,4,5-trifluoro-3-methylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 88747853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).