4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

C21H18FN3O2 — CID 109086154

IUPAC4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H18FN3O2/c1-14(15-6-3-2-4-7-15)24-21(27)19-12-16(10-11-23-19)20(26)25-18-9-5-8-17(22)13-18/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyUHELEYGWJRQPQT-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.96
Rot. Bonds5

About 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086154) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109086154
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1)c1ccccc1
InChIInChI=1S/C21H18FN3O2/c1-14(15-6-3-2-4-7-15)24-21(27)19-12-16(10-11-23-19)20(26)25-18-9-5-8-17(22)13-18/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKeyUHELEYGWJRQPQT-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 109086154) is 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is CC(NC(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1)c1ccccc1.
What is the InChIKey of 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is UHELEYGWJRQPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-14(15-6-3-2-4-7-15)24-21(27)19-12-16(10-11-23-19)20(26)25-18-9-5-8-17(22)13-18/h2-14H,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).