6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

C22H21FN2O2 — CID 56742411

IUPAC6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1
InChIInChI=1S/C22H21FN2O2/c1-27-20-10-7-16(8-11-20)4-3-13-24-22(26)18-9-12-21(25-15-18)17-5-2-6-19(23)14-17/h2,5-12,14-15H,3-4,13H2,1H3,(H,24,26)
InChIKeyFSXFXNRPGFSZPX-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.26
Rot. Bonds7

About 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (PubChem CID 56742411) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
PubChem CID56742411
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1
InChIInChI=1S/C22H21FN2O2/c1-27-20-10-7-16(8-11-20)4-3-13-24-22(26)18-9-12-21(25-15-18)17-5-2-6-19(23)14-17/h2,5-12,14-15H,3-4,13H2,1H3,(H,24,26)
InChIKeyFSXFXNRPGFSZPX-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (CID 56742411) is 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is FSXFXNRPGFSZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-27-20-10-7-16(8-11-20)4-3-13-24-22(26)18-9-12-21(25-15-18)17-5-2-6-19(23)14-17/h2,5-12,14-15H,3-4,13H2,1H3,(H,24,26).
What are the key properties of 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56742411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).