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

C23H22FN3O2 — CID 109088003

IUPAC4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-2-27(19-9-4-3-5-10-19)23(29)18-13-14-25-21(16-18)22(28)26-15-12-17-8-6-7-11-20(17)24/h3-11,13-14,16H,2,12,15H2,1H3,(H,26,28)
InChIKeyANRLAZFPTAINRN-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.86
Rot. Bonds7

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

4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide (PubChem CID 109088003) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
PubChem CID109088003
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide
SMILESCCN(C(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C23H22FN3O2/c1-2-27(19-9-4-3-5-10-19)23(29)18-13-14-25-21(16-18)22(28)26-15-12-17-8-6-7-11-20(17)24/h3-11,13-14,16H,2,12,15H2,1H3,(H,26,28)
InChIKeyANRLAZFPTAINRN-UHFFFAOYSA-N
XLogP3.86
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
4-[ethyl(phenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730043
2-N-tert-butyl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109089266
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087210
4-(N-ethylanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211188
4-N-[2-(dimethylamino)ethyl]-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109083472
2-N-[2-(4-fluorophenyl)ethyl]-4-N-methyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109088075
2-N-(3,5-dimethylphenyl)-4-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109087957
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-N-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide (CID 109088003) is 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide is CCN(C(=O)c1ccnc(C(=O)NCCc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
The InChIKey is ANRLAZFPTAINRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-2-27(19-9-4-3-5-10-19)23(29)18-13-14-25-21(16-18)22(28)26-15-12-17-8-6-7-11-20(17)24/h3-11,13-14,16H,2,12,15H2,1H3,(H,26,28).
What are the key properties of 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide?
4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[2-(2-fluorophenyl)ethyl]-4-N-phenylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).