2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide

C22H20FN3O2 — CID 109088075

IUPAC2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-26(19-5-3-2-4-6-19)22(28)17-12-14-24-20(15-17)21(27)25-13-11-16-7-9-18(23)10-8-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,27)
InChIKeyVFEIHHCVCMYDPU-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.47
Rot. Bonds6

About 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide

2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109088075) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109088075
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCN(C(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C22H20FN3O2/c1-26(19-5-3-2-4-6-19)22(28)17-12-14-24-20(15-17)21(27)25-13-11-16-7-9-18(23)10-8-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,27)
InChIKeyVFEIHHCVCMYDPU-UHFFFAOYSA-N
XLogP3.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
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-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088496
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
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
4-N-methyl-4-N-phenyl-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087239
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
2-N-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide (CID 109088075) is 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide is CN(C(=O)c1ccnc(C(=O)NCCc2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is VFEIHHCVCMYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-26(19-5-3-2-4-6-19)22(28)17-12-14-24-20(15-17)21(27)25-13-11-16-7-9-18(23)10-8-16/h2-10,12,14-15H,11,13H2,1H3,(H,25,27).
What are the key properties of 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide?
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).