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

C21H18FN3O2 — CID 109085281

IUPAC4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H18FN3O2/c22-18-8-6-16(7-9-18)14-25-21(27)19-12-17(10-11-23-19)20(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyLFGIWMWMCNHWJV-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.08
Rot. Bonds6

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

4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (PubChem CID 109085281) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
PubChem CID109085281
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C21H18FN3O2/c22-18-8-6-16(7-9-18)14-25-21(27)19-12-17(10-11-23-19)20(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27)
InChIKeyLFGIWMWMCNHWJV-UHFFFAOYSA-N
XLogP3.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
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
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
2-N-ethyl-4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086521
2-N-(3-chlorophenyl)-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086529
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide (CID 109085281) is 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is O=C(NCc1ccccc1)c1ccnc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
The InChIKey is LFGIWMWMCNHWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c22-18-8-6-16(7-9-18)14-25-21(27)19-12-17(10-11-23-19)20(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,26)(H,25,27).
What are the key properties of 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).