2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide

C21H18FN3O2 — CID 109086315

IUPAC2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C21H18FN3O2/c1-25(14-15-6-3-2-4-7-15)21(27)19-12-16(10-11-23-19)20(26)24-18-9-5-8-17(22)13-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyOVAKAZBVNQGQHD-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.75
Rot. Bonds5

About 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide

2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 109086315) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID109086315
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1
InChIInChI=1S/C21H18FN3O2/c1-25(14-15-6-3-2-4-7-15)21(27)19-12-16(10-11-23-19)20(26)24-18-9-5-8-17(22)13-18/h2-13H,14H2,1H3,(H,24,26)
InChIKeyOVAKAZBVNQGQHD-UHFFFAOYSA-N
XLogP3.75
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-4-N-(3-fluorophenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092385
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
2-N-(3-fluorophenyl)-4-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091177
2-N-butyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109079525
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N,4-N-diethyl-2-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088860
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
4-N-benzyl-2-N-[(4-fluorophenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086169
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 109086251
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide (CID 109086315) is 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cc(C(=O)Nc2cccc(F)c2)ccn1.
What is the InChIKey of 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is OVAKAZBVNQGQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-25(14-15-6-3-2-4-7-15)21(27)19-12-16(10-11-23-19)20(26)24-18-9-5-8-17(22)13-18/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 363.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(3-fluorophenyl)-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).