4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide

C21H19FN2O3 — CID 122539656

IUPAC4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOCc2ccccc2)cn1
InChIInChI=1S/C21H19FN2O3/c22-17-8-6-16(7-9-17)18-12-19(21(23)25)24-13-20(18)27-11-10-26-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H2,23,25)
InChIKeyNARSIEQOQONTHC-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.58
Rot. Bonds8

About 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide

4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide (PubChem CID 122539656) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide
PubChem CID122539656
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCCOCc2ccccc2)cn1
InChIInChI=1S/C21H19FN2O3/c22-17-8-6-16(7-9-17)18-12-19(21(23)25)24-13-20(18)27-11-10-26-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H2,23,25)
InChIKeyNARSIEQOQONTHC-UHFFFAOYSA-N
XLogP3.58
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide (CID 122539656) is 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCCOCc2ccccc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide?
The InChIKey is NARSIEQOQONTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-17-8-6-16(7-9-17)18-12-19(21(23)25)24-13-20(18)27-11-10-26-14-15-4-2-1-3-5-15/h1-9,12-13H,10-11,14H2,(H2,23,25).
What are the key properties of 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-phenylmethoxyethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 122539656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).