4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

C22H20FN3O2 — CID 109086488

IUPAC4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C22H20FN3O2/c23-19-8-6-17(7-9-19)15-26-21(27)18-11-13-24-20(14-18)22(28)25-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,25,28)(H,26,27)
InChIKeyHHNKDZXNHIBKAG-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.12
Rot. Bonds7

About 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086488) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109086488
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C22H20FN3O2/c23-19-8-6-17(7-9-19)15-26-21(27)18-11-13-24-20(14-18)22(28)25-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,25,28)(H,26,27)
InChIKeyHHNKDZXNHIBKAG-UHFFFAOYSA-N
XLogP3.12
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085281
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109086488) is 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is O=C(NCc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is HHNKDZXNHIBKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-19-8-6-17(7-9-19)15-26-21(27)18-11-13-24-20(14-18)22(28)25-12-10-16-4-2-1-3-5-16/h1-9,11,13-14H,10,12,15H2,(H,25,28)(H,26,27).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).