5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C20H16F2N2O2 — CID 46032993

IUPAC5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cncc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H16F2N2O2/c1-26-19-7-6-17(22)9-18(19)14-8-15(12-23-11-14)20(25)24-10-13-2-4-16(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyPRSNOFWODRBKPU-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.97
Rot. Bonds5

About 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 46032993) has the molecular formula C20H16F2N2O2 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID46032993
Molecular FormulaC20H16F2N2O2
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(F)cc1-c1cncc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C20H16F2N2O2/c1-26-19-7-6-17(22)9-18(19)14-8-15(12-23-11-14)20(25)24-10-13-2-4-16(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyPRSNOFWODRBKPU-UHFFFAOYSA-N
XLogP3.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 46032993) is 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is COc1ccc(F)cc1-c1cncc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PRSNOFWODRBKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2/c1-26-19-7-6-17(22)9-18(19)14-8-15(12-23-11-14)20(25)24-10-13-2-4-16(21)5-3-13/h2-9,11-12H,10H2,1H3,(H,24,25).
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46032993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).